disodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-4-oxido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate;hydrate

C10H15N2Na2O9P — CID 131674985

IUPACdisodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-4-oxido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate;hydrate
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])O)O2)c(=O)nc1[O-].O.[Na+].[Na+]
InChIInChI=1S/C10H15N2O8P.2Na.H2O/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18;;;/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18);;;1H2/q;2*+1;/p-2/t6-,7+,8+;;;/m0.../s1
InChIKeyKCOPAVKVHIWPKB-SPSULGLQSA-L
MW384.19 g/mol
LogP-9.07
Rot. Bonds4

About disodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-4-oxido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate;hydrate

disodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-4-oxido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate;hydrate (PubChem CID 131674985) has the molecular formula C10H15N2Na2O9P and a molecular weight of 384.19 g/mol. Its IUPAC name is disodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-4-oxido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate;hydrate.

Molecular Properties

Compound Namedisodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-4-oxido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate;hydrate
PubChem CID131674985
Molecular FormulaC10H15N2Na2O9P
Molecular Weight384.19 g/mol
Exact Mass384.03
IUPAC Namedisodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-4-oxido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate;hydrate
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])O)O2)c(=O)nc1[O-].O.[Na+].[Na+]
InChIInChI=1S/C10H15N2O8P.2Na.H2O/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18;;;/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18);;;1H2/q;2*+1;/p-2/t6-,7+,8+;;;/m0.../s1
InChIKeyKCOPAVKVHIWPKB-SPSULGLQSA-L
XLogP-9.07
TPSA188.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.19
LogP ≤ 5-9.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze disodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-4-oxido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate;hydrate 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

disodium;[(2R,3S,5R)-3-hydroxy-5-(5-(113C)methyl-2,4-dioxo(2,4,5,6-13C4,1,3-15N2)pyrimidin-1-yl)(2,3,4,5-13C4)oxolan-2-yl](113C)methyl phosphate
CID 172897616
disodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
CID 132777756
[(2R,3R,5R)-3-hydroxy-5-(5-(113C)methyl-2,4-dioxo(2,4,5,6-13C4)pyrimidin-1-yl)(2,3,4,5-13C4)oxolan-2-yl](113C)methyl dihydrogen phosphate
CID 169494068
[(2R,3R,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 20711568
[(2S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 133126478
1-[(2R,4S,5R)-4-[decoxy(hydroxy)phosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-olate
CID 102341623
CID 18531019
CID 18531019
bis[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] hydrogen phosphate
CID 3035025
[(2R,3S,5R)-5-(4-amino-5-methylselanyl-2-oxopyrimidin-1-yl)-2-[[hydroxy(oxido)phosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
CID 139213183
sodium;[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate;hydrate
CID 135705227
[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphate
CID 25323089
(2S)-2-(aminomethyl)-3-[1-[(2R,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-4-oxido-2-oxopyrimidin-5-yl]-2-methylpropanoate
CID 132600100

Frequently Asked Questions

What is the IUPAC name of disodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-4-oxido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate;hydrate?
The IUPAC name of disodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-4-oxido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate;hydrate (CID 131674985) is disodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-4-oxido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate;hydrate.
What is the SMILES notation for disodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-4-oxido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate;hydrate?
The canonical SMILES for disodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-4-oxido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate;hydrate is Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])O)O2)c(=O)nc1[O-].O.[Na+].[Na+].
What is the InChIKey of disodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-4-oxido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate;hydrate?
The InChIKey is KCOPAVKVHIWPKB-SPSULGLQSA-L. The full InChI is InChI=1S/C10H15N2O8P.2Na.H2O/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18;;;/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18);;;1H2/q;2*+1;/p-2/t6-,7+,8+;;;/m0.../s1.
What are the key properties of disodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-4-oxido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate;hydrate?
disodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-4-oxido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate;hydrate has a molecular weight of 384.19 g/mol, XLogP of -9.07, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-4-oxido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate;hydrate is sourced from PubChem (CID 131674985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).