[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazol-1-yloxolan-2-yl]methyl hydrogen phosphate

C8H12N2O7P- — CID 24971459

IUPAC[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazol-1-yloxolan-2-yl]methyl hydrogen phosphate
SMILESO=P([O-])(O)OC[C@H]1O[C@@H](n2ccnc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H13N2O7P/c11-6-5(3-16-18(13,14)15)17-8(7(6)12)10-2-1-9-4-10/h1-2,4-8,11-12H,3H2,(H2,13,14,15)/p-1/t5-,6-,7-,8-/m1/s1
InChIKeyYEBULYOZZUNFGU-WCTZXXKLSA-M
MW279.17 g/mol
LogP-2.02
Rot. Bonds4

About [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazol-1-yloxolan-2-yl]methyl hydrogen phosphate

[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazol-1-yloxolan-2-yl]methyl hydrogen phosphate (PubChem CID 24971459) has the molecular formula C8H12N2O7P- and a molecular weight of 279.17 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazol-1-yloxolan-2-yl]methyl hydrogen phosphate.

Molecular Properties

Compound Name[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazol-1-yloxolan-2-yl]methyl hydrogen phosphate
PubChem CID24971459
Molecular FormulaC8H12N2O7P-
Molecular Weight279.17 g/mol
Exact Mass279.04
IUPAC Name[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazol-1-yloxolan-2-yl]methyl hydrogen phosphate
SMILESO=P([O-])(O)OC[C@H]1O[C@@H](n2ccnc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H13N2O7P/c11-6-5(3-16-18(13,14)15)17-8(7(6)12)10-2-1-9-4-10/h1-2,4-8,11-12H,3H2,(H2,13,14,15)/p-1/t5-,6-,7-,8-/m1/s1
InChIKeyYEBULYOZZUNFGU-WCTZXXKLSA-M
XLogP-2.02
TPSA137.10 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 5-2.02
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,4R,5S)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 134940370
sodium [(2S,3R,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 44659300
[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen phosphate
CID 42609823
[(2R,3R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate
CID 135533970
sodium [(2S,3R,4R,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 23704776
[3,4-dihydroxy-5-(4-oxo-1-pyridinyl)oxolan-2-yl]methyl dihydrogen phosphate
CID 3274684
sodium [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate
CID 135494348
potassium [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 172642536
[(2R,3S,4R,5R)-5-(5-aminoimidazol-1-yl)-3,4-dihydroxy(413C)oxolan-2-yl]methyl dihydrogen phosphate
CID 11335428
sodium (3,4,6-trihydroxyoxan-2-yl)methyl hydrogen phosphate
CID 171320787
sodium [(2R,3S,4R,5R)-5-amino-3,4,6-trihydroxyoxan-2-yl]methyl hydrogen phosphate
CID 90476501
[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-imidazol-1-ylphosphinic acid
CID 58159419

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazol-1-yloxolan-2-yl]methyl hydrogen phosphate?
The IUPAC name of [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazol-1-yloxolan-2-yl]methyl hydrogen phosphate (CID 24971459) is [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazol-1-yloxolan-2-yl]methyl hydrogen phosphate.
What is the SMILES notation for [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazol-1-yloxolan-2-yl]methyl hydrogen phosphate?
The canonical SMILES for [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazol-1-yloxolan-2-yl]methyl hydrogen phosphate is O=P([O-])(O)OC[C@H]1O[C@@H](n2ccnc2)[C@H](O)[C@@H]1O.
What is the InChIKey of [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazol-1-yloxolan-2-yl]methyl hydrogen phosphate?
The InChIKey is YEBULYOZZUNFGU-WCTZXXKLSA-M. The full InChI is InChI=1S/C8H13N2O7P/c11-6-5(3-16-18(13,14)15)17-8(7(6)12)10-2-1-9-4-10/h1-2,4-8,11-12H,3H2,(H2,13,14,15)/p-1/t5-,6-,7-,8-/m1/s1.
What are the key properties of [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazol-1-yloxolan-2-yl]methyl hydrogen phosphate?
[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazol-1-yloxolan-2-yl]methyl hydrogen phosphate has a molecular weight of 279.17 g/mol, XLogP of -2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazol-1-yloxolan-2-yl]methyl hydrogen phosphate is sourced from PubChem (CID 24971459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).