[[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]phosphonous acid

C5H12NO6P — CID 70131002

IUPAC[[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]phosphonous acid
SMILESO[C@@H]1[C@H](O)[C@H](O)CO[C@H]1NP(O)O
InChIInChI=1S/C5H12NO6P/c7-2-1-12-5(6-13(10)11)4(9)3(2)8/h2-11H,1H2/t2-,3-,4-,5-/m1/s1
InChIKeyJDLYYRZSNZQXJB-TXICZTDVSA-N
MW213.13 g/mol
LogP-2.77
Rot. Bonds2

About [[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]phosphonous acid

[[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]phosphonous acid (PubChem CID 70131002) has the molecular formula C5H12NO6P and a molecular weight of 213.13 g/mol. Its IUPAC name is [[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]phosphonous acid.

Molecular Properties

Compound Name[[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]phosphonous acid
PubChem CID70131002
Molecular FormulaC5H12NO6P
Molecular Weight213.13 g/mol
Exact Mass213.04
IUPAC Name[[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]phosphonous acid
SMILESO[C@@H]1[C@H](O)[C@H](O)CO[C@H]1NP(O)O
InChIInChI=1S/C5H12NO6P/c7-2-1-12-5(6-13(10)11)4(9)3(2)8/h2-11H,1H2/t2-,3-,4-,5-/m1/s1
InChIKeyJDLYYRZSNZQXJB-TXICZTDVSA-N
XLogP-2.77
TPSA122.41 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500213.13
LogP ≤ 5-2.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]phosphonous acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]phosphonous acid?
The IUPAC name of [[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]phosphonous acid (CID 70131002) is [[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]phosphonous acid.
What is the SMILES notation for [[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]phosphonous acid?
The canonical SMILES for [[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]phosphonous acid is O[C@@H]1[C@H](O)[C@H](O)CO[C@H]1NP(O)O.
What is the InChIKey of [[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]phosphonous acid?
The InChIKey is JDLYYRZSNZQXJB-TXICZTDVSA-N. The full InChI is InChI=1S/C5H12NO6P/c7-2-1-12-5(6-13(10)11)4(9)3(2)8/h2-11H,1H2/t2-,3-,4-,5-/m1/s1.
What are the key properties of [[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]phosphonous acid?
[[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]phosphonous acid has a molecular weight of 213.13 g/mol, XLogP of -2.77, 2 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]phosphonous acid is sourced from PubChem (CID 70131002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).