Structure & Deep Data of ANCITABINE (C9H11N3O4)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The ANCITABINE molecule contains a total of 29 bond(s). There are 18 non-H bond(s), 3 multiple bond(s), 1 rotatable bond(s), 3 double bond(s), 2 five-membered ring(s), 1 six-membered ring(s), 1 eight-membered ring(s), 1 nine-membered ring(s), 1 twelve-membered ring(s), 1 tertiary amine(s) (aliphatic), 2 hydroxyl group(s), 1 primary alcohol(s), 1 secondary alcohol(s), 2 ether(s) (aliphatic), and 1 Oxolane(s). Images of the chemical structure of ANCITABINE are given below:

The 2D chemical structure image of ANCITABINE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of ANCITABINE are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of ANCITABINE is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of ANCITABINE. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying ANCITABINE Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of ANCITABINE

  The SMILES string of ANCITABINE is OCC3OC1C(Oc2nc(=N)ccn12)C3O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the ANCITABINE.

• Structure Data File (SDF/MOL File) of ANCITABINE

  The structure data file (SDF/MOL File) of ANCITABINE is available for download in the SDF page of ANCITABINE, which provides the information about the atoms, bonds, connectivity and coordinates of ANCITABINE. The ANCITABINE structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of ANCITABINE

  The molecular formula of ANCITABINE is available in chemical formula page of ANCITABINE, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of ANCITABINE

  The molecular weight of ANCITABINE is available in molecular weight page of ANCITABINE, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of ANCITABINE

  The ANCITABINE compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of ANCITABINE including the various registry numbers, if available:

  • [2R-(2alpha,3beta,3abeta,9abeta)]-2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-6H-furo[2',3':4,5]pxazolo[3,2-a]pyrimidine-2-methanol
  • (2R,4R,5R,6S)-4-(HYDROXYMETHYL)-10-IMINO-3,7-DIOXA-1,9-DIAZATRICYCLO[6.4.0.0(2),?]DODECA-8,11-DIEN-5-OL
  • (2R,3R,3aS,9aR)-6-imino-2-methylol-2,3,3a,9a-tetrahydrofuro[1,2]oxazolo[3,4-a]pyrimidin-3-ol;hydrochloride
  • (2R,3R,3aS,9aR)-6-imino-2-methylol-2,3,3a,9a-tetrahydrofuro[1,2]oxazolo[3,4-a]pyrimidin-3-ol
  • (2R,3R,3aS,9aR)-6-azanylidene-2-(hydroxymethyl)-2,3,3a,9a-tetrahydrofuro[1,2][1,3]oxazolo[3,4-a]pyrimidin-3-ol;hydrochloride
  • (2R,3R,3aS,9aR)-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydrofuro[1,2]oxazolo[3,4-a]pyrimidin-3-ol;hydrochloride
  • (2R,3R,3aS,9aR)-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydrofuro[1,2][1,3]oxazolo[3,4-a]pyrimidin-3-ol;hydrochloride
  • (2R,3R,3aS,9aR)-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydrofuro[[?]:[?]]oxazolo[[?]]pyrimidin-3-ol
  • (2R,3R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hydroxy-6-imino-6H-furo(2',3'
  • W-202309

  • 2,2'-Anhydro-1-.beta.-D-arabinofuranosylcytosine
  • 2,2'-anhydro-1-(beta-D-arabinofuranosyl)cytosine
  • AB00430480-02
  • 2,2'-Anhydro-(beta-D-arabinofuranosyl)cytidine
  • 4,5)oxazolo(3,2-a)pyrimidine-2-methanol
  • HMS2090A16
  • BDBM58407
  • DO2D32W0VC
  • O(2,2')-cyclocytidine
  • U-33,624A

  • 2,2'-anhydro-AraC
  • OCTD
  • CAS-31698-14-3
  • Ancitabine [INN]
  • 6H-Furo(2',3':4,5)oxazolo(3,2-alpha)pyrimidine-2-methanol, 2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-, stereoisomer
  • (2R,3R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hydroxy-6-imino-6H-furo(2',3';4,5)oxazolo(3,2-a)pyrimidine-2-methanol
  • Anhydro-Ara-C
  • 10212-25-6
  • 6H-Furo(2',3':4,5)oxazolo(3,2-a)pyrimidine-2-methanol, 2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-, (2R-(2alpha,3beta,3abeta,9abeta))-
  • (2R,3R,3aS,9aR)-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-ol

  • Cyclo-C
  • C9H11N3O4
  • 2,2'-O-Cyclocytidine
  • O(sup 2),2'-Cyclocytidine
  • Ancitabina [INN-Spanish]
  • Ancitabinum [INN-Latin]
  • 2,2'-Anhydroarabinosylcytosine
  • Ancitabina
  • Ancitabinum
  • Anhydroara C

  • 31698-14-3
  • Anhydrocytidine
  • 2,2'-Anhydrocytidine
  • 2,2'-Cyclocytidine
  • Ancytabine
  • Cyclocytidine
  • ANCITABINE

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ANCITABINE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of ANCITABINE?
C9H11N3O4
How many atoms and what are the elements included the ANCITABINE molecule?
27 atom(s) - 11 Hydrogen atom(s), 9 Carbon atom(s), 3 Nitrogen atom(s), and 4 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the ANCITABINE structure?
29 bond(s) - 18 non-H bond(s), 3 multiple bond(s), 1 rotatable bond(s), 3 double bond(s), 2 five-membered ring(s), 1 six-membered ring(s), 1 eight-membered ring(s), 1 nine-membered ring(s), 1 twelve-membered ring(s), 1 tertiary amine(s) (aliphatic), 2 hydroxyl group(s), 1 primary alcohol(s), 1 secondary alcohol(s), 2 ether(s) (aliphatic), and 1 Oxolane(s)
What’s the ANCITABINE’s molecular weight?
225.20134 g/mol
What’s the SMILES code of ANCITABINE?
OCC3OC1C(Oc2nc(=N)ccn12)C3O
What’s the InChI string of ANCITABINE?
InChI=1S/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/b10-5+/t4-,6-,7+,8-/m1/s1
What’s the InChIKey code of ANCITABINE?
BBDAGFIXKZCXAH-PJNBIRNISA-N

38 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).