[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-(oxan-2-yloxy)-2-(oxan-2-yloxymethyl)oxolan-3-yl] naphthalen-1-yl hydrogen phosphate

C29H35N2O11P — CID 70423813

IUPAC[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-(oxan-2-yloxy)-2-(oxan-2-yloxymethyl)oxolan-3-yl] naphthalen-1-yl hydrogen phosphate
SMILESO=c1ccn([C@@H]2O[C@H](COC3CCCCO3)[C@@H](OP(=O)(O)Oc3cccc4ccccc34)[C@H]2OC2CCCCO2)c(=O)[nH]1
InChIInChI=1S/C29H35N2O11P/c32-23-14-15-31(29(33)30-23)28-27(40-25-13-4-6-17-37-25)26(22(39-28)18-38-24-12-3-5-16-36-24)42-43(34,35)41-21-11-7-9-19-8-1-2-10-20(19)21/h1-2,7-11,14-15,22,24-28H,3-6,12-13,16-18H2,(H,34,35)(H,30,32,33)/t22-,24?,25?,26-,27-,28-/m1/s1
InChIKeyKGBRCTVZMKFMHX-PMYBWLJGSA-N
MW618.58 g/mol
LogP3.61
Rot. Bonds10

About [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-(oxan-2-yloxy)-2-(oxan-2-yloxymethyl)oxolan-3-yl] naphthalen-1-yl hydrogen phosphate

[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-(oxan-2-yloxy)-2-(oxan-2-yloxymethyl)oxolan-3-yl] naphthalen-1-yl hydrogen phosphate (PubChem CID 70423813) has the molecular formula C29H35N2O11P and a molecular weight of 618.58 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-(oxan-2-yloxy)-2-(oxan-2-yloxymethyl)oxolan-3-yl] naphthalen-1-yl hydrogen phosphate.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-(oxan-2-yloxy)-2-(oxan-2-yloxymethyl)oxolan-3-yl] naphthalen-1-yl hydrogen phosphate
PubChem CID70423813
Molecular FormulaC29H35N2O11P
Molecular Weight618.58 g/mol
Exact Mass618.20
IUPAC Name[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-(oxan-2-yloxy)-2-(oxan-2-yloxymethyl)oxolan-3-yl] naphthalen-1-yl hydrogen phosphate
SMILESO=c1ccn([C@@H]2O[C@H](COC3CCCCO3)[C@@H](OP(=O)(O)Oc3cccc4ccccc34)[C@H]2OC2CCCCO2)c(=O)[nH]1
InChIInChI=1S/C29H35N2O11P/c32-23-14-15-31(29(33)30-23)28-27(40-25-13-4-6-17-37-25)26(22(39-28)18-38-24-12-3-5-16-36-24)42-43(34,35)41-21-11-7-9-19-8-1-2-10-20(19)21/h1-2,7-11,14-15,22,24-28H,3-6,12-13,16-18H2,(H,34,35)(H,30,32,33)/t22-,24?,25?,26-,27-,28-/m1/s1
InChIKeyKGBRCTVZMKFMHX-PMYBWLJGSA-N
XLogP3.61
TPSA156.77 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.58
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-(oxan-2-yloxy)-2-(oxan-2-yloxymethyl)oxolan-3-yl] naphthalen-1-yl hydrogen phosphate 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

[(2R,3R,4R,5R)-3-diethoxyphosphoryloxy-5-(2,4-dioxopyrimidin-1-yl)-4-(oxan-2-yloxy)oxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 10626441
1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-(oxan-2-yloxy)oxolan-2-yl]pyrimidine-2,4-dione
CID 11734856
[(2R,3R,4S,5R)-3-[(2-chlorophenoxy)-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-(oxolan-2-yloxy)oxolan-2-yl]methyl 4-oxopentanoate
CID 69476969
[(2R,3R,4R,5R)-4-acetyloxy-2-[[[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-(oxan-2-yloxy)oxolan-3-yl]oxy-[(4-nitrophenyl)methylsulfanyl]phosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
CID 11083711
1-[(2R,3R,5S)-3-[(2S)-oxan-2-yl]oxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 124581828
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10409486
[5-(2,4-dioxopyrimidin-1-yl)-2-(fluorooxymethyl)-4-hexadecoxyoxolan-3-yl]oxy-methylphosphinic acid;ethane
CID 170630488
CID 88572292
CID 88572292
1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-naphthalen-1-yloxyoxolan-2-yl]pyrimidine-2,4-dione
CID 71235599
ethyl 3-[(2R,3R,4R,5R)-3-fluoro-4-(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]-2,6-dioxopyrimidine-4-carboxylate
CID 52952607
(2,5-dichlorophenyl) [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
CID 100945675
1-[3-(oxan-2-yloxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]pyrimidine-2,4-dione
CID 10661520

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-(oxan-2-yloxy)-2-(oxan-2-yloxymethyl)oxolan-3-yl] naphthalen-1-yl hydrogen phosphate?
The IUPAC name of [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-(oxan-2-yloxy)-2-(oxan-2-yloxymethyl)oxolan-3-yl] naphthalen-1-yl hydrogen phosphate (CID 70423813) is [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-(oxan-2-yloxy)-2-(oxan-2-yloxymethyl)oxolan-3-yl] naphthalen-1-yl hydrogen phosphate.
What is the SMILES notation for [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-(oxan-2-yloxy)-2-(oxan-2-yloxymethyl)oxolan-3-yl] naphthalen-1-yl hydrogen phosphate?
The canonical SMILES for [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-(oxan-2-yloxy)-2-(oxan-2-yloxymethyl)oxolan-3-yl] naphthalen-1-yl hydrogen phosphate is O=c1ccn([C@@H]2O[C@H](COC3CCCCO3)[C@@H](OP(=O)(O)Oc3cccc4ccccc34)[C@H]2OC2CCCCO2)c(=O)[nH]1.
What is the InChIKey of [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-(oxan-2-yloxy)-2-(oxan-2-yloxymethyl)oxolan-3-yl] naphthalen-1-yl hydrogen phosphate?
The InChIKey is KGBRCTVZMKFMHX-PMYBWLJGSA-N. The full InChI is InChI=1S/C29H35N2O11P/c32-23-14-15-31(29(33)30-23)28-27(40-25-13-4-6-17-37-25)26(22(39-28)18-38-24-12-3-5-16-36-24)42-43(34,35)41-21-11-7-9-19-8-1-2-10-20(19)21/h1-2,7-11,14-15,22,24-28H,3-6,12-13,16-18H2,(H,34,35)(H,30,32,33)/t22-,24?,25?,26-,27-,28-/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-(oxan-2-yloxy)-2-(oxan-2-yloxymethyl)oxolan-3-yl] naphthalen-1-yl hydrogen phosphate?
[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-(oxan-2-yloxy)-2-(oxan-2-yloxymethyl)oxolan-3-yl] naphthalen-1-yl hydrogen phosphate has a molecular weight of 618.58 g/mol, XLogP of 3.61, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-(oxan-2-yloxy)-2-(oxan-2-yloxymethyl)oxolan-3-yl] naphthalen-1-yl hydrogen phosphate is sourced from PubChem (CID 70423813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).