(4R,5S,6R)-4,5-dihydroxy-3-(hydroxyamino)-6-(hydroxymethyl)oxan-2-one

C6H11NO6 — CID 123518429

IUPAC(4R,5S,6R)-4,5-dihydroxy-3-(hydroxyamino)-6-(hydroxymethyl)oxan-2-one
SMILESO=C1O[C@H](CO)[C@@H](O)[C@H](O)C1NO
InChIInChI=1S/C6H11NO6/c8-1-2-4(9)5(10)3(7-12)6(11)13-2/h2-5,7-10,12H,1H2/t2-,3?,4-,5-/m1/s1
InChIKeyCFFPXZBWTIGGQT-NLJOEYPJSA-N
MW193.15 g/mol
LogP-3.03
Rot. Bonds2

About (4R,5S,6R)-4,5-dihydroxy-3-(hydroxyamino)-6-(hydroxymethyl)oxan-2-one

(4R,5S,6R)-4,5-dihydroxy-3-(hydroxyamino)-6-(hydroxymethyl)oxan-2-one (PubChem CID 123518429) has the molecular formula C6H11NO6 and a molecular weight of 193.15 g/mol. Its IUPAC name is (4R,5S,6R)-4,5-dihydroxy-3-(hydroxyamino)-6-(hydroxymethyl)oxan-2-one.

Molecular Properties

Compound Name(4R,5S,6R)-4,5-dihydroxy-3-(hydroxyamino)-6-(hydroxymethyl)oxan-2-one
PubChem CID123518429
Molecular FormulaC6H11NO6
Molecular Weight193.15 g/mol
Exact Mass193.06
IUPAC Name(4R,5S,6R)-4,5-dihydroxy-3-(hydroxyamino)-6-(hydroxymethyl)oxan-2-one
SMILESO=C1O[C@H](CO)[C@@H](O)[C@H](O)C1NO
InChIInChI=1S/C6H11NO6/c8-1-2-4(9)5(10)3(7-12)6(11)13-2/h2-5,7-10,12H,1H2/t2-,3?,4-,5-/m1/s1
InChIKeyCFFPXZBWTIGGQT-NLJOEYPJSA-N
XLogP-3.03
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.15
LogP ≤ 5-3.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4R,5S,6R)-4,5-dihydroxy-3-(hydroxyamino)-6-(hydroxymethyl)oxan-2-one 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

(4S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
CID 148905339
(3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 144754191
sodium;dihydrogen phosphate;(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
CID 23665288
(4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-one
CID 91410550
N-[(2Z)-4,5-dihydroxy-2-hydroxyimino-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 6110046
(3R,4S,5S,6R)-6-[deuterio(hydroxy)methyl]-3,4,5-trihydroxyoxan-2-one
CID 175929927
(3R,4R,5S)-3,4-diamino-5-(hydroxymethyl)oxolan-2-one
CID 55290895
(3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-nitrooxan-2-one
CID 163550929
N-[(3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-dimethoxy-2-oxooxan-3-yl]acetamide
CID 102328170
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874

Frequently Asked Questions

What is the IUPAC name of (4R,5S,6R)-4,5-dihydroxy-3-(hydroxyamino)-6-(hydroxymethyl)oxan-2-one?
The IUPAC name of (4R,5S,6R)-4,5-dihydroxy-3-(hydroxyamino)-6-(hydroxymethyl)oxan-2-one (CID 123518429) is (4R,5S,6R)-4,5-dihydroxy-3-(hydroxyamino)-6-(hydroxymethyl)oxan-2-one.
What is the SMILES notation for (4R,5S,6R)-4,5-dihydroxy-3-(hydroxyamino)-6-(hydroxymethyl)oxan-2-one?
The canonical SMILES for (4R,5S,6R)-4,5-dihydroxy-3-(hydroxyamino)-6-(hydroxymethyl)oxan-2-one is O=C1O[C@H](CO)[C@@H](O)[C@H](O)C1NO.
What is the InChIKey of (4R,5S,6R)-4,5-dihydroxy-3-(hydroxyamino)-6-(hydroxymethyl)oxan-2-one?
The InChIKey is CFFPXZBWTIGGQT-NLJOEYPJSA-N. The full InChI is InChI=1S/C6H11NO6/c8-1-2-4(9)5(10)3(7-12)6(11)13-2/h2-5,7-10,12H,1H2/t2-,3?,4-,5-/m1/s1.
What are the key properties of (4R,5S,6R)-4,5-dihydroxy-3-(hydroxyamino)-6-(hydroxymethyl)oxan-2-one?
(4R,5S,6R)-4,5-dihydroxy-3-(hydroxyamino)-6-(hydroxymethyl)oxan-2-one has a molecular weight of 193.15 g/mol, XLogP of -3.03, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6R)-4,5-dihydroxy-3-(hydroxyamino)-6-(hydroxymethyl)oxan-2-one is sourced from PubChem (CID 123518429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).