1-[(2R,3S,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]-3-hydroxyoxolan-2-yl]-4-methoxypyrimidin-2-one

C16H27N2O8P — CID 71812371

IUPAC1-[(2R,3S,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]-3-hydroxyoxolan-2-yl]-4-methoxypyrimidin-2-one
SMILESCOc1ccn([C@@H]2OC[C@H](OCP(=O)(OC(C)C)OC(C)C)[C@@H]2O)c(=O)n1
InChIInChI=1S/C16H27N2O8P/c1-10(2)25-27(21,26-11(3)4)9-24-12-8-23-15(14(12)19)18-7-6-13(22-5)17-16(18)20/h6-7,10-12,14-15,19H,8-9H2,1-5H3/t12-,14-,15+/m0/s1
InChIKeyMHZCSZRVDOFWLL-AEGPPILISA-N
MW406.37 g/mol
LogP1.53
Rot. Bonds9

About 1-[(2R,3S,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]-3-hydroxyoxolan-2-yl]-4-methoxypyrimidin-2-one

1-[(2R,3S,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]-3-hydroxyoxolan-2-yl]-4-methoxypyrimidin-2-one (PubChem CID 71812371) has the molecular formula C16H27N2O8P and a molecular weight of 406.37 g/mol. Its IUPAC name is 1-[(2R,3S,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]-3-hydroxyoxolan-2-yl]-4-methoxypyrimidin-2-one.

Molecular Properties

Compound Name1-[(2R,3S,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]-3-hydroxyoxolan-2-yl]-4-methoxypyrimidin-2-one
PubChem CID71812371
Molecular FormulaC16H27N2O8P
Molecular Weight406.37 g/mol
Exact Mass406.15
IUPAC Name1-[(2R,3S,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]-3-hydroxyoxolan-2-yl]-4-methoxypyrimidin-2-one
SMILESCOc1ccn([C@@H]2OC[C@H](OCP(=O)(OC(C)C)OC(C)C)[C@@H]2O)c(=O)n1
InChIInChI=1S/C16H27N2O8P/c1-10(2)25-27(21,26-11(3)4)9-24-12-8-23-15(14(12)19)18-7-6-13(22-5)17-16(18)20/h6-7,10-12,14-15,19H,8-9H2,1-5H3/t12-,14-,15+/m0/s1
InChIKeyMHZCSZRVDOFWLL-AEGPPILISA-N
XLogP1.53
TPSA118.34 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1-[(2R,3S,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]-3-hydroxyoxolan-2-yl]-4-methoxypyrimidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]-3-hydroxyoxolan-2-yl]-4-methoxypyrimidin-2-one?
The IUPAC name of 1-[(2R,3S,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]-3-hydroxyoxolan-2-yl]-4-methoxypyrimidin-2-one (CID 71812371) is 1-[(2R,3S,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]-3-hydroxyoxolan-2-yl]-4-methoxypyrimidin-2-one.
What is the SMILES notation for 1-[(2R,3S,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]-3-hydroxyoxolan-2-yl]-4-methoxypyrimidin-2-one?
The canonical SMILES for 1-[(2R,3S,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]-3-hydroxyoxolan-2-yl]-4-methoxypyrimidin-2-one is COc1ccn([C@@H]2OC[C@H](OCP(=O)(OC(C)C)OC(C)C)[C@@H]2O)c(=O)n1.
What is the InChIKey of 1-[(2R,3S,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]-3-hydroxyoxolan-2-yl]-4-methoxypyrimidin-2-one?
The InChIKey is MHZCSZRVDOFWLL-AEGPPILISA-N. The full InChI is InChI=1S/C16H27N2O8P/c1-10(2)25-27(21,26-11(3)4)9-24-12-8-23-15(14(12)19)18-7-6-13(22-5)17-16(18)20/h6-7,10-12,14-15,19H,8-9H2,1-5H3/t12-,14-,15+/m0/s1.
What are the key properties of 1-[(2R,3S,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]-3-hydroxyoxolan-2-yl]-4-methoxypyrimidin-2-one?
1-[(2R,3S,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]-3-hydroxyoxolan-2-yl]-4-methoxypyrimidin-2-one has a molecular weight of 406.37 g/mol, XLogP of 1.53, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]-3-hydroxyoxolan-2-yl]-4-methoxypyrimidin-2-one is sourced from PubChem (CID 71812371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).