[(2R,3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-5-[bis(4-methoxyphenyl)-phenylmethyl]-3-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium

C30H31N3O9P+ — CID 67421892

IUPAC[(2R,3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-5-[bis(4-methoxyphenyl)-phenylmethyl]-3-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium
SMILESCOc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)[C@]2(n3ccc(N)nc3=O)C[C@@](O)(O[P+](=O)O)[C@@H](CO)O2)cc1
InChIInChI=1S/C30H30N3O9P/c1-39-23-12-8-21(9-13-23)30(20-6-4-3-5-7-20,22-10-14-24(40-2)15-11-22)29(33-17-16-26(31)32-27(33)35)19-28(36,42-43(37)38)25(18-34)41-29/h3-17,25,34,36H,18-19H2,1-2H3,(H2-,31,32,35,37,38)/p+1/t25-,28-,29+/m1/s1
InChIKeyWTSDCKXLSFILRX-ZJGIAAPESA-O
MW608.56 g/mol
LogP2.67
Rot. Bonds10

About [(2R,3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-5-[bis(4-methoxyphenyl)-phenylmethyl]-3-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium

[(2R,3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-5-[bis(4-methoxyphenyl)-phenylmethyl]-3-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium (PubChem CID 67421892) has the molecular formula C30H31N3O9P+ and a molecular weight of 608.56 g/mol. Its IUPAC name is [(2R,3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-5-[bis(4-methoxyphenyl)-phenylmethyl]-3-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(2R,3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-5-[bis(4-methoxyphenyl)-phenylmethyl]-3-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium
PubChem CID67421892
Molecular FormulaC30H31N3O9P+
Molecular Weight608.56 g/mol
Exact Mass608.18
IUPAC Name[(2R,3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-5-[bis(4-methoxyphenyl)-phenylmethyl]-3-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium
SMILESCOc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)[C@]2(n3ccc(N)nc3=O)C[C@@](O)(O[P+](=O)O)[C@@H](CO)O2)cc1
InChIInChI=1S/C30H30N3O9P/c1-39-23-12-8-21(9-13-23)30(20-6-4-3-5-7-20,22-10-14-24(40-2)15-11-22)29(33-17-16-26(31)32-27(33)35)19-28(36,42-43(37)38)25(18-34)41-29/h3-17,25,34,36H,18-19H2,1-2H3,(H2-,31,32,35,37,38)/p+1/t25-,28-,29+/m1/s1
InChIKeyWTSDCKXLSFILRX-ZJGIAAPESA-O
XLogP2.67
TPSA175.59 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.56
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [(2R,3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-5-[bis(4-methoxyphenyl)-phenylmethyl]-3-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium with MolForge

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

Launch Full Analysis

Related Compounds

4-amino-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3,3-dimethoxy-2-trityloxolan-2-yl]pyrimidin-2-one
CID 67768360
4-amino-1-[(2S,4S,5R)-2-[(2,3-dimethoxyphenyl)-diphenylmethyl]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 90410838
4-amino-1-[(2S,3R,4S,5R)-4-amino-2-benzoyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 67027078
[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-sulfanylidene-sulfidophosphanium
CID 10556865
(2R,3R,4S)-4-[bis(4-methoxyphenyl)-phenylmethyl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 57184983
4-amino-1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
CID 14410867
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2,3-dimethyloxolan-2-yl]pyrimidin-2-one
CID 66824648
4-amino-1-[(2R,3S,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-2-methyloxolan-2-yl]pyrimidin-2-one
CID 154134137
1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-4-[(4-methoxyphenyl)-diphenylmethoxy]pyrimidin-2-one
CID 66797415
4-amino-1-[(2R,5S)-2-(hydroxymethyl)-5-methyl-1,3-oxathiolan-5-yl]pyrimidin-2-one
CID 118718719
4-amino-1-[(1R,3R,4R,5R)-4-hydroxy-3-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-1-yl]pyrimidin-2-one
CID 10934069
4-amino-1-[(2S,4S,5R)-2,4-diacetyl-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidin-2-one
CID 70365622

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-5-[bis(4-methoxyphenyl)-phenylmethyl]-3-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium?
The IUPAC name of [(2R,3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-5-[bis(4-methoxyphenyl)-phenylmethyl]-3-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium (CID 67421892) is [(2R,3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-5-[bis(4-methoxyphenyl)-phenylmethyl]-3-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium.
What is the SMILES notation for [(2R,3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-5-[bis(4-methoxyphenyl)-phenylmethyl]-3-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium?
The canonical SMILES for [(2R,3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-5-[bis(4-methoxyphenyl)-phenylmethyl]-3-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium is COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)[C@]2(n3ccc(N)nc3=O)C[C@@](O)(O[P+](=O)O)[C@@H](CO)O2)cc1.
What is the InChIKey of [(2R,3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-5-[bis(4-methoxyphenyl)-phenylmethyl]-3-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium?
The InChIKey is WTSDCKXLSFILRX-ZJGIAAPESA-O. The full InChI is InChI=1S/C30H30N3O9P/c1-39-23-12-8-21(9-13-23)30(20-6-4-3-5-7-20,22-10-14-24(40-2)15-11-22)29(33-17-16-26(31)32-27(33)35)19-28(36,42-43(37)38)25(18-34)41-29/h3-17,25,34,36H,18-19H2,1-2H3,(H2-,31,32,35,37,38)/p+1/t25-,28-,29+/m1/s1.
What are the key properties of [(2R,3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-5-[bis(4-methoxyphenyl)-phenylmethyl]-3-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium?
[(2R,3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-5-[bis(4-methoxyphenyl)-phenylmethyl]-3-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium has a molecular weight of 608.56 g/mol, XLogP of 2.67, 10 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-5-[bis(4-methoxyphenyl)-phenylmethyl]-3-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium is sourced from PubChem (CID 67421892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).