[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phenyl hydrogen phosphate

C15H17N2O7P — CID 45270536

IUPAC[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phenyl hydrogen phosphate
SMILESO=c1ccn([C@H]2CC[C@@H](COP(=O)(O)Oc3ccccc3)O2)c(=O)[nH]1
InChIInChI=1S/C15H17N2O7P/c18-13-8-9-17(15(19)16-13)14-7-6-12(23-14)10-22-25(20,21)24-11-4-2-1-3-5-11/h1-5,8-9,12,14H,6-7,10H2,(H,20,21)(H,16,18,19)/t12-,14+/m0/s1
InChIKeyOTBMMWXFMUCJPS-GXTWGEPZSA-N
MW368.28 g/mol
LogP1.41
Rot. Bonds6

About [(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phenyl hydrogen phosphate

[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phenyl hydrogen phosphate (PubChem CID 45270536) has the molecular formula C15H17N2O7P and a molecular weight of 368.28 g/mol. Its IUPAC name is [(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phenyl hydrogen phosphate.

Molecular Properties

Compound Name[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phenyl hydrogen phosphate
PubChem CID45270536
Molecular FormulaC15H17N2O7P
Molecular Weight368.28 g/mol
Exact Mass368.08
IUPAC Name[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phenyl hydrogen phosphate
SMILESO=c1ccn([C@H]2CC[C@@H](COP(=O)(O)Oc3ccccc3)O2)c(=O)[nH]1
InChIInChI=1S/C15H17N2O7P/c18-13-8-9-17(15(19)16-13)14-7-6-12(23-14)10-22-25(20,21)24-11-4-2-1-3-5-11/h1-5,8-9,12,14H,6-7,10H2,(H,20,21)(H,16,18,19)/t12-,14+/m0/s1
InChIKeyOTBMMWXFMUCJPS-GXTWGEPZSA-N
XLogP1.41
TPSA119.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phenyl hydrogen phosphate?
The IUPAC name of [(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phenyl hydrogen phosphate (CID 45270536) is [(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phenyl hydrogen phosphate.
What is the SMILES notation for [(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phenyl hydrogen phosphate?
The canonical SMILES for [(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phenyl hydrogen phosphate is O=c1ccn([C@H]2CC[C@@H](COP(=O)(O)Oc3ccccc3)O2)c(=O)[nH]1.
What is the InChIKey of [(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phenyl hydrogen phosphate?
The InChIKey is OTBMMWXFMUCJPS-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H17N2O7P/c18-13-8-9-17(15(19)16-13)14-7-6-12(23-14)10-22-25(20,21)24-11-4-2-1-3-5-11/h1-5,8-9,12,14H,6-7,10H2,(H,20,21)(H,16,18,19)/t12-,14+/m0/s1.
What are the key properties of [(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phenyl hydrogen phosphate?
[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phenyl hydrogen phosphate has a molecular weight of 368.28 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phenyl hydrogen phosphate is sourced from PubChem (CID 45270536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).