[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1H-pyrazol-5-yl)oxolan-2-yl]methyl dihydrogen phosphate

C8H13N2O7P — CID 91200099

IUPAC[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1H-pyrazol-5-yl)oxolan-2-yl]methyl dihydrogen phosphate
SMILESO=P(O)(O)OC[C@H]1O[C@@H](c2ccn[nH]2)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H13N2O7P/c11-6-5(3-16-18(13,14)15)17-8(7(6)12)4-1-2-9-10-4/h1-2,5-8,11-12H,3H2,(H,9,10)(H2,13,14,15)/t5-,6-,7-,8+/m1/s1
InChIKeyUOCATYJQUOHLQO-XUTVFYLZSA-N
MW280.17 g/mol
LogP-1.32
Rot. Bonds4

About [(2R,3S,4R,5S)-3,4-dihydroxy-5-(1H-pyrazol-5-yl)oxolan-2-yl]methyl dihydrogen phosphate

[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1H-pyrazol-5-yl)oxolan-2-yl]methyl dihydrogen phosphate (PubChem CID 91200099) has the molecular formula C8H13N2O7P and a molecular weight of 280.17 g/mol. Its IUPAC name is [(2R,3S,4R,5S)-3,4-dihydroxy-5-(1H-pyrazol-5-yl)oxolan-2-yl]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1H-pyrazol-5-yl)oxolan-2-yl]methyl dihydrogen phosphate
PubChem CID91200099
Molecular FormulaC8H13N2O7P
Molecular Weight280.17 g/mol
Exact Mass280.05
IUPAC Name[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1H-pyrazol-5-yl)oxolan-2-yl]methyl dihydrogen phosphate
SMILESO=P(O)(O)OC[C@H]1O[C@@H](c2ccn[nH]2)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H13N2O7P/c11-6-5(3-16-18(13,14)15)17-8(7(6)12)4-1-2-9-10-4/h1-2,5-8,11-12H,3H2,(H,9,10)(H2,13,14,15)/t5-,6-,7-,8+/m1/s1
InChIKeyUOCATYJQUOHLQO-XUTVFYLZSA-N
XLogP-1.32
TPSA145.13 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 5-1.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R,3S,4R,5S)-3,4-dihydroxy-5-(1H-pyrazol-5-yl)oxolan-2-yl]methyl dihydrogen 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

[5-(1H-pyrazol-5-yl)oxolan-2-yl]methanamine
CID 122163866
(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5S)-2,2-dimethyl-5-(1H-pyrazol-5-yl)-1,3-dioxolan-4-yl]methanol
CID 134909973
(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-2,2-dimethyl-5-(1H-pyrazol-5-yl)-1,3-dioxolan-4-yl]methanol
CID 134909983
(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5S)-2,2-dimethyl-5-(1H-pyrazol-5-yl)-1,3-dioxolan-4-yl]methanol
CID 134910074
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(1H-pyrazol-5-yl)oxolane-3,4-diol
CID 10750516
[(3S,4S,5S)-4,5-dimethyl-2-(1H-pyrazol-5-yl)oxolan-3-yl]oxyphosphane
CID 59067630
1-methoxy-1-(1H-pyrazol-5-yl)propan-2-ol
CID 67674860
(2R,3S,4R,5R)-2-(hydroxymethyl)-6-(1H-pyrazol-5-yl)oxane-3,4,5-triol
CID 68864620
(2S,3R,4R,5R)-2-[4-(hydroxyamino)-1H-pyrazol-5-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 87984432
[(2R,3R,4S,5S)-3,4-diacetyloxy-5-(1H-pyrazol-5-yl)oxolan-2-yl]methyl acetate
CID 91455904
5-[(2R,5S)-5-methyloxolan-2-yl]-1H-pyrazole
CID 122522361
(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-pyrazol-5-yl)oxolane-3,4-diol
CID 129681802

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5S)-3,4-dihydroxy-5-(1H-pyrazol-5-yl)oxolan-2-yl]methyl dihydrogen phosphate?
The IUPAC name of [(2R,3S,4R,5S)-3,4-dihydroxy-5-(1H-pyrazol-5-yl)oxolan-2-yl]methyl dihydrogen phosphate (CID 91200099) is [(2R,3S,4R,5S)-3,4-dihydroxy-5-(1H-pyrazol-5-yl)oxolan-2-yl]methyl dihydrogen phosphate.
What is the SMILES notation for [(2R,3S,4R,5S)-3,4-dihydroxy-5-(1H-pyrazol-5-yl)oxolan-2-yl]methyl dihydrogen phosphate?
The canonical SMILES for [(2R,3S,4R,5S)-3,4-dihydroxy-5-(1H-pyrazol-5-yl)oxolan-2-yl]methyl dihydrogen phosphate is O=P(O)(O)OC[C@H]1O[C@@H](c2ccn[nH]2)[C@H](O)[C@@H]1O.
What is the InChIKey of [(2R,3S,4R,5S)-3,4-dihydroxy-5-(1H-pyrazol-5-yl)oxolan-2-yl]methyl dihydrogen phosphate?
The InChIKey is UOCATYJQUOHLQO-XUTVFYLZSA-N. The full InChI is InChI=1S/C8H13N2O7P/c11-6-5(3-16-18(13,14)15)17-8(7(6)12)4-1-2-9-10-4/h1-2,5-8,11-12H,3H2,(H,9,10)(H2,13,14,15)/t5-,6-,7-,8+/m1/s1.
What are the key properties of [(2R,3S,4R,5S)-3,4-dihydroxy-5-(1H-pyrazol-5-yl)oxolan-2-yl]methyl dihydrogen phosphate?
[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1H-pyrazol-5-yl)oxolan-2-yl]methyl dihydrogen phosphate has a molecular weight of 280.17 g/mol, XLogP of -1.32, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5S)-3,4-dihydroxy-5-(1H-pyrazol-5-yl)oxolan-2-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 91200099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).