[(2R,3S)-2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium

C9H13N3O6P+ — CID 165156020

IUPAC[(2R,3S)-2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium
SMILESCc1cn([C@@H]2OCC(O)[C@@H]2O[P+](=O)O)c(=O)nc1N
InChIInChI=1S/C9H12N3O6P/c1-4-2-12(9(14)11-7(4)10)8-6(18-19(15)16)5(13)3-17-8/h2,5-6,8,13H,3H2,1H3,(H2-,10,11,14,15,16)/p+1/t5?,6-,8+/m0/s1
InChIKeyFHBRZYDCPDDHCJ-KVWYPCGYSA-O
MW290.19 g/mol
LogP-0.94
Rot. Bonds3

About [(2R,3S)-2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium

[(2R,3S)-2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium (PubChem CID 165156020) has the molecular formula C9H13N3O6P+ and a molecular weight of 290.19 g/mol. Its IUPAC name is [(2R,3S)-2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(2R,3S)-2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium
PubChem CID165156020
Molecular FormulaC9H13N3O6P+
Molecular Weight290.19 g/mol
Exact Mass290.05
IUPAC Name[(2R,3S)-2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium
SMILESCc1cn([C@@H]2OCC(O)[C@@H]2O[P+](=O)O)c(=O)nc1N
InChIInChI=1S/C9H12N3O6P/c1-4-2-12(9(14)11-7(4)10)8-6(18-19(15)16)5(13)3-17-8/h2,5-6,8,13H,3H2,1H3,(H2-,10,11,14,15,16)/p+1/t5?,6-,8+/m0/s1
InChIKeyFHBRZYDCPDDHCJ-KVWYPCGYSA-O
XLogP-0.94
TPSA136.90 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium
CID 165156006
4-amino-1-[(1S,3R,4R,7S)-7-hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidin-2-one
CID 52946596
4-amino-1-[(2S,4R)-4-hydroxy-5-methylideneoxolan-2-yl]-5-methylpyrimidin-2-one
CID 124674649
4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylperoxyoxolan-2-yl]-5-methylpyrimidin-2-one
CID 175232169
4-amino-1-[5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one
CID 155454878
4-amino-1-[5-(aminomethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one
CID 156513859
4-amino-5-methyl-1-(3-oxo-1,3-oxathiolan-5-yl)pyrimidin-2-one
CID 59795749
4-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one
CID 163710891
4-amino-1-[(2R,3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 97311787
[(2R,3S,4R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;azane
CID 131845132
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one;phosphoric acid
CID 71239319
4-amino-1-[(2R,4R)-2-(methoxymethyl)-1,3-oxathiolan-4-yl]-5-methylpyrimidin-2-one
CID 118494732

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium?
The IUPAC name of [(2R,3S)-2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium (CID 165156020) is [(2R,3S)-2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium.
What is the SMILES notation for [(2R,3S)-2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium?
The canonical SMILES for [(2R,3S)-2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium is Cc1cn([C@@H]2OCC(O)[C@@H]2O[P+](=O)O)c(=O)nc1N.
What is the InChIKey of [(2R,3S)-2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium?
The InChIKey is FHBRZYDCPDDHCJ-KVWYPCGYSA-O. The full InChI is InChI=1S/C9H12N3O6P/c1-4-2-12(9(14)11-7(4)10)8-6(18-19(15)16)5(13)3-17-8/h2,5-6,8,13H,3H2,1H3,(H2-,10,11,14,15,16)/p+1/t5?,6-,8+/m0/s1.
What are the key properties of [(2R,3S)-2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium?
[(2R,3S)-2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium has a molecular weight of 290.19 g/mol, XLogP of -0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium is sourced from PubChem (CID 165156020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).