[(3R,4S)-4-(methoxymethyl)-4-[1-(2-oxo-1-pyridinyl)ethoxy]oxolan-3-yl] methyl hydrogen phosphate

C14H22NO8P — CID 155609314

IUPAC[(3R,4S)-4-(methoxymethyl)-4-[1-(2-oxo-1-pyridinyl)ethoxy]oxolan-3-yl] methyl hydrogen phosphate
SMILESCOC[C@]1(OC(C)n2ccccc2=O)COC[C@H]1OP(=O)(O)OC
InChIInChI=1S/C14H22NO8P/c1-11(15-7-5-4-6-13(15)16)22-14(9-19-2)10-21-8-12(14)23-24(17,18)20-3/h4-7,11-12H,8-10H2,1-3H3,(H,17,18)/t11?,12-,14+/m1/s1
InChIKeyLISDYESRADYFBJ-AOUZGSJDSA-N
MW363.30 g/mol
LogP0.93
Rot. Bonds8

About [(3R,4S)-4-(methoxymethyl)-4-[1-(2-oxo-1-pyridinyl)ethoxy]oxolan-3-yl] methyl hydrogen phosphate

[(3R,4S)-4-(methoxymethyl)-4-[1-(2-oxo-1-pyridinyl)ethoxy]oxolan-3-yl] methyl hydrogen phosphate (PubChem CID 155609314) has the molecular formula C14H22NO8P and a molecular weight of 363.30 g/mol. Its IUPAC name is [(3R,4S)-4-(methoxymethyl)-4-[1-(2-oxo-1-pyridinyl)ethoxy]oxolan-3-yl] methyl hydrogen phosphate.

Molecular Properties

Compound Name[(3R,4S)-4-(methoxymethyl)-4-[1-(2-oxo-1-pyridinyl)ethoxy]oxolan-3-yl] methyl hydrogen phosphate
PubChem CID155609314
Molecular FormulaC14H22NO8P
Molecular Weight363.30 g/mol
Exact Mass363.11
IUPAC Name[(3R,4S)-4-(methoxymethyl)-4-[1-(2-oxo-1-pyridinyl)ethoxy]oxolan-3-yl] methyl hydrogen phosphate
SMILESCOC[C@]1(OC(C)n2ccccc2=O)COC[C@H]1OP(=O)(O)OC
InChIInChI=1S/C14H22NO8P/c1-11(15-7-5-4-6-13(15)16)22-14(9-19-2)10-21-8-12(14)23-24(17,18)20-3/h4-7,11-12H,8-10H2,1-3H3,(H,17,18)/t11?,12-,14+/m1/s1
InChIKeyLISDYESRADYFBJ-AOUZGSJDSA-N
XLogP0.93
TPSA105.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-(methoxymethyl)-4-[1-(2-oxo-1-pyridinyl)ethoxy]oxolan-3-yl] methyl hydrogen phosphate?
The IUPAC name of [(3R,4S)-4-(methoxymethyl)-4-[1-(2-oxo-1-pyridinyl)ethoxy]oxolan-3-yl] methyl hydrogen phosphate (CID 155609314) is [(3R,4S)-4-(methoxymethyl)-4-[1-(2-oxo-1-pyridinyl)ethoxy]oxolan-3-yl] methyl hydrogen phosphate.
What is the SMILES notation for [(3R,4S)-4-(methoxymethyl)-4-[1-(2-oxo-1-pyridinyl)ethoxy]oxolan-3-yl] methyl hydrogen phosphate?
The canonical SMILES for [(3R,4S)-4-(methoxymethyl)-4-[1-(2-oxo-1-pyridinyl)ethoxy]oxolan-3-yl] methyl hydrogen phosphate is COC[C@]1(OC(C)n2ccccc2=O)COC[C@H]1OP(=O)(O)OC.
What is the InChIKey of [(3R,4S)-4-(methoxymethyl)-4-[1-(2-oxo-1-pyridinyl)ethoxy]oxolan-3-yl] methyl hydrogen phosphate?
The InChIKey is LISDYESRADYFBJ-AOUZGSJDSA-N. The full InChI is InChI=1S/C14H22NO8P/c1-11(15-7-5-4-6-13(15)16)22-14(9-19-2)10-21-8-12(14)23-24(17,18)20-3/h4-7,11-12H,8-10H2,1-3H3,(H,17,18)/t11?,12-,14+/m1/s1.
What are the key properties of [(3R,4S)-4-(methoxymethyl)-4-[1-(2-oxo-1-pyridinyl)ethoxy]oxolan-3-yl] methyl hydrogen phosphate?
[(3R,4S)-4-(methoxymethyl)-4-[1-(2-oxo-1-pyridinyl)ethoxy]oxolan-3-yl] methyl hydrogen phosphate has a molecular weight of 363.30 g/mol, XLogP of 0.93, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-(methoxymethyl)-4-[1-(2-oxo-1-pyridinyl)ethoxy]oxolan-3-yl] methyl hydrogen phosphate is sourced from PubChem (CID 155609314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).