dihydroxyphosphanyl [[(5R)-5-(2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methoxy-hydroxyphosphanyl] hydrogen phosphite

C9H15N2O10P3 — CID 118151138

IUPACdihydroxyphosphanyl [[(5R)-5-(2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methoxy-hydroxyphosphanyl] hydrogen phosphite
SMILESO=c1[nH]cc([C@H]2CCC(COP(O)OP(O)OP(O)O)O2)c(=O)[nH]1
InChIInChI=1S/C9H15N2O10P3/c12-8-6(3-10-9(13)11-8)7-2-1-5(19-7)4-18-23(16)21-24(17)20-22(14)15/h3,5,7,14-17H,1-2,4H2,(H2,10,11,12,13)/t5?,7-,23?,24?/m1/s1
InChIKeyPUSLHTNKXQQXFY-SNCKVVEBSA-N
MW404.15 g/mol
LogP-0.02
Rot. Bonds8

About dihydroxyphosphanyl [[(5R)-5-(2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methoxy-hydroxyphosphanyl] hydrogen phosphite

dihydroxyphosphanyl [[(5R)-5-(2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methoxy-hydroxyphosphanyl] hydrogen phosphite (PubChem CID 118151138) has the molecular formula C9H15N2O10P3 and a molecular weight of 404.15 g/mol. Its IUPAC name is dihydroxyphosphanyl [[(5R)-5-(2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methoxy-hydroxyphosphanyl] hydrogen phosphite.

Molecular Properties

Compound Namedihydroxyphosphanyl [[(5R)-5-(2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methoxy-hydroxyphosphanyl] hydrogen phosphite
PubChem CID118151138
Molecular FormulaC9H15N2O10P3
Molecular Weight404.15 g/mol
Exact Mass403.99
IUPAC Namedihydroxyphosphanyl [[(5R)-5-(2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methoxy-hydroxyphosphanyl] hydrogen phosphite
SMILESO=c1[nH]cc([C@H]2CCC(COP(O)OP(O)OP(O)O)O2)c(=O)[nH]1
InChIInChI=1S/C9H15N2O10P3/c12-8-6(3-10-9(13)11-8)7-2-1-5(19-7)4-18-23(16)21-24(17)20-22(14)15/h3,5,7,14-17H,1-2,4H2,(H2,10,11,12,13)/t5?,7-,23?,24?/m1/s1
InChIKeyPUSLHTNKXQQXFY-SNCKVVEBSA-N
XLogP-0.02
TPSA183.56 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.15
LogP ≤ 5-0.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxyphosphanyl [[(5R)-5-(2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methoxy-hydroxyphosphanyl] hydrogen phosphite?
The IUPAC name of dihydroxyphosphanyl [[(5R)-5-(2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methoxy-hydroxyphosphanyl] hydrogen phosphite (CID 118151138) is dihydroxyphosphanyl [[(5R)-5-(2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methoxy-hydroxyphosphanyl] hydrogen phosphite.
What is the SMILES notation for dihydroxyphosphanyl [[(5R)-5-(2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methoxy-hydroxyphosphanyl] hydrogen phosphite?
The canonical SMILES for dihydroxyphosphanyl [[(5R)-5-(2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methoxy-hydroxyphosphanyl] hydrogen phosphite is O=c1[nH]cc([C@H]2CCC(COP(O)OP(O)OP(O)O)O2)c(=O)[nH]1.
What is the InChIKey of dihydroxyphosphanyl [[(5R)-5-(2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methoxy-hydroxyphosphanyl] hydrogen phosphite?
The InChIKey is PUSLHTNKXQQXFY-SNCKVVEBSA-N. The full InChI is InChI=1S/C9H15N2O10P3/c12-8-6(3-10-9(13)11-8)7-2-1-5(19-7)4-18-23(16)21-24(17)20-22(14)15/h3,5,7,14-17H,1-2,4H2,(H2,10,11,12,13)/t5?,7-,23?,24?/m1/s1.
What are the key properties of dihydroxyphosphanyl [[(5R)-5-(2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methoxy-hydroxyphosphanyl] hydrogen phosphite?
dihydroxyphosphanyl [[(5R)-5-(2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methoxy-hydroxyphosphanyl] hydrogen phosphite has a molecular weight of 404.15 g/mol, XLogP of -0.02, 8 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxyphosphanyl [[(5R)-5-(2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methoxy-hydroxyphosphanyl] hydrogen phosphite is sourced from PubChem (CID 118151138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).