CID 18531019

C10H15N2NaO8P — CID 18531019

IUPAC—
SMILESCc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O.[Na]
InChIInChI=1S/C10H15N2O8P.Na/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);
InChIKeyYDRKIYXHTAGJRY-UHFFFAOYSA-N
MW345.20 g/mol
LogP-1.78
Rot. Bonds4

About CID 18531019

CID 18531019 (PubChem CID 18531019) has the molecular formula C10H15N2NaO8P and a molecular weight of 345.20 g/mol.

Molecular Properties

Compound NameCID 18531019
PubChem CID18531019
Molecular FormulaC10H15N2NaO8P
Molecular Weight345.20 g/mol
Exact Mass345.05
IUPAC Name—
SMILESCc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O.[Na]
InChIInChI=1S/C10H15N2O8P.Na/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);
InChIKeyYDRKIYXHTAGJRY-UHFFFAOYSA-N
XLogP-1.78
TPSA151.08 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 5-1.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(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
bis[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] hydrogen phosphate
CID 3035025
2,2-dimethylpropane-1,3-diol;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 67605340
hydroxymethyl-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinic acid
CID 10382350
[(2S,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate
CID 92974145
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate;2-methoxyacetic acid
CID 67607703
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-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 46936617
[(2R,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 57496821

Frequently Asked Questions

What is the IUPAC name of CID 18531019?
The IUPAC name of CID 18531019 (CID 18531019) is not available.
What is the SMILES notation for CID 18531019?
The canonical SMILES for CID 18531019 is Cc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O.[Na].
What is the InChIKey of CID 18531019?
The InChIKey is YDRKIYXHTAGJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2O8P.Na/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);.
What are the key properties of CID 18531019?
CID 18531019 has a molecular weight of 345.20 g/mol, XLogP of -1.78, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18531019 is sourced from PubChem (CID 18531019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).