[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid

C14H22N3O8P — CID 11223048

IUPAC[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)N3CCOCC3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C14H22N3O8P/c1-9-7-17(14(20)15-13(9)19)12-6-10(18)11(25-12)8-24-26(21,22)16-2-4-23-5-3-16/h7,10-12,18H,2-6,8H2,1H3,(H,21,22)(H,15,19,20)/t10-,11+,12+/m0/s1
InChIKeyYOOZOHHAYMFKBV-QJPTWQEYSA-N
MW391.32 g/mol
LogP-1.06
Rot. Bonds5

About [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid

[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid (PubChem CID 11223048) has the molecular formula C14H22N3O8P and a molecular weight of 391.32 g/mol. Its IUPAC name is [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid.

Molecular Properties

Compound Name[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid
PubChem CID11223048
Molecular FormulaC14H22N3O8P
Molecular Weight391.32 g/mol
Exact Mass391.11
IUPAC Name[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)N3CCOCC3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C14H22N3O8P/c1-9-7-17(14(20)15-13(9)19)12-6-10(18)11(25-12)8-24-26(21,22)16-2-4-23-5-3-16/h7,10-12,18H,2-6,8H2,1H3,(H,21,22)(H,15,19,20)/t10-,11+,12+/m0/s1
InChIKeyYOOZOHHAYMFKBV-QJPTWQEYSA-N
XLogP-1.06
TPSA143.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 5-1.06
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,3R,5R)-3-hydroxy-5-(5-(113C)methyl-2,4-dioxo(2,4,5,6-13C4)pyrimidin-1-yl)(2,3,4,5-13C4)oxolan-2-yl](113C)methyl dihydrogen phosphate
CID 169494068
[(2R,3R,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 20711568
[(2S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 133126478
CID 18531019
CID 18531019
bis[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] hydrogen phosphate
CID 3035025
hydroxymethyl-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinic acid
CID 10382350
[(2S,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate
CID 92974145
disodium;[(2R,3S,5R)-3-hydroxy-5-(5-(113C)methyl-2,4-dioxo(2,4,5,6-13C4,1,3-15N2)pyrimidin-1-yl)(2,3,4,5-13C4)oxolan-2-yl](113C)methyl phosphate
CID 172897616
disodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
CID 132777756
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate;oxolane;2,2,6,6-tetramethylpiperidine
CID 121439955
[[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]phosphonic acid
CID 14408973
2-hydroxyethyl [(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
CID 67262482

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid?
The IUPAC name of [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid (CID 11223048) is [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid.
What is the SMILES notation for [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid?
The canonical SMILES for [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid is Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)N3CCOCC3)O2)c(=O)[nH]c1=O.
What is the InChIKey of [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid?
The InChIKey is YOOZOHHAYMFKBV-QJPTWQEYSA-N. The full InChI is InChI=1S/C14H22N3O8P/c1-9-7-17(14(20)15-13(9)19)12-6-10(18)11(25-12)8-24-26(21,22)16-2-4-23-5-3-16/h7,10-12,18H,2-6,8H2,1H3,(H,21,22)(H,15,19,20)/t10-,11+,12+/m0/s1.
What are the key properties of [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid?
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid has a molecular weight of 391.32 g/mol, XLogP of -1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid is sourced from PubChem (CID 11223048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).