CID 131865007

C12H12N5NaO6P — CID 131865007

IUPAC—
SMILESO=P1(O)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1cnc2c1ncn1ccnc21.[Na]
InChIInChI=1S/C12H12N5O6P.Na/c18-3-6-8-9(23-24(19,20)22-8)12(21-6)17-5-14-7-10-13-1-2-16(10)4-15-11(7)17;/h1-2,4-6,8-9,12,18H,3H2,(H,19,20);/t6-,8-,9-,12-;/m1./s1
InChIKeyUDOSCLWTVXQDSN-OUTCZKRVSA-N
MW376.22 g/mol
LogP-0.53
Rot. Bonds2

About CID 131865007

CID 131865007 (PubChem CID 131865007) has the molecular formula C12H12N5NaO6P and a molecular weight of 376.22 g/mol.

Molecular Properties

Compound NameCID 131865007
PubChem CID131865007
Molecular FormulaC12H12N5NaO6P
Molecular Weight376.22 g/mol
Exact Mass376.04
IUPAC Name—
SMILESO=P1(O)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1cnc2c1ncn1ccnc21.[Na]
InChIInChI=1S/C12H12N5O6P.Na/c18-3-6-8-9(23-24(19,20)22-8)12(21-6)17-5-14-7-10-13-1-2-16(10)4-15-11(7)17;/h1-2,4-6,8-9,12,18H,3H2,(H,19,20);/t6-,8-,9-,12-;/m1./s1
InChIKeyUDOSCLWTVXQDSN-OUTCZKRVSA-N
XLogP-0.53
TPSA133.23 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.22
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze CID 131865007 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3aR,4S,6S,6aR)-4-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol
CID 86308128
[(3aS,4R,6R)-4-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol
CID 46780086
[(3aR,4R,6R,6aR)-2,2-diheptyl-4-imidazo[2,1-f]purin-3-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol;hydrochloride
CID 171471163
[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydro(2,3,4,5-13C4)furano[3,4-d](4,5-13C2)[1,3,2]dioxaphosphol-6-yl](113C)methanol;N,N-diethylethanamine
CID 154790001
[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol;N,N-diethylethanamine
CID 154790000
2-amino-9-[2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-1H-purin-6-one;barium(2+)
CID 135534510
[(4R,6R,6aS)-4-imidazo[2,1-f]purin-3-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl sulfamate
CID 140848348
9-[(1S,6R,8R,10R,15R,17R)-18-ethoxy-3,9,12-trihydroxy-8-imidazo[2,1-f]purin-3-yl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2-methyl-1H-purin-6-one
CID 157287710
[(4R,6R)-4-[2,6-bis[(2Z)-2-(cyclopentylmethylidene)hydrazinyl]purin-9-yl]-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol
CID 89318332
1-[(3aS,4S,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4-dione
CID 56965948
1-[(3aR,4R,6S,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4-dione
CID 51396763
bis(1-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-4-aminopyrimidin-2-one);barium(2+)
CID 122164783

Frequently Asked Questions

What is the IUPAC name of CID 131865007?
The IUPAC name of CID 131865007 (CID 131865007) is not available.
What is the SMILES notation for CID 131865007?
The canonical SMILES for CID 131865007 is O=P1(O)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1cnc2c1ncn1ccnc21.[Na].
What is the InChIKey of CID 131865007?
The InChIKey is UDOSCLWTVXQDSN-OUTCZKRVSA-N. The full InChI is InChI=1S/C12H12N5O6P.Na/c18-3-6-8-9(23-24(19,20)22-8)12(21-6)17-5-14-7-10-13-1-2-16(10)4-15-11(7)17;/h1-2,4-6,8-9,12,18H,3H2,(H,19,20);/t6-,8-,9-,12-;/m1./s1.
What are the key properties of CID 131865007?
CID 131865007 has a molecular weight of 376.22 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131865007 is sourced from PubChem (CID 131865007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).