[(3S,4S,5R,6S)-4,5-diacetyloxy-6-(sulfamoylamino)oxan-3-yl] acetate

C11H18N2O9S — CID 102160842

IUPAC[(3S,4S,5R,6S)-4,5-diacetyloxy-6-(sulfamoylamino)oxan-3-yl] acetate
SMILESCC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](NS(N)(=O)=O)OC[C@@H]1OC(C)=O
InChIInChI=1S/C11H18N2O9S/c1-5(14)20-8-4-19-11(13-23(12,17)18)10(22-7(3)16)9(8)21-6(2)15/h8-11,13H,4H2,1-3H3,(H2,12,17,18)/t8-,9-,10+,11-/m0/s1
InChIKeyRUKDYPKCJQMDNH-MMWGEVLESA-N
MW354.34 g/mol
LogP-2.07
Rot. Bonds5

About [(3S,4S,5R,6S)-4,5-diacetyloxy-6-(sulfamoylamino)oxan-3-yl] acetate

[(3S,4S,5R,6S)-4,5-diacetyloxy-6-(sulfamoylamino)oxan-3-yl] acetate (PubChem CID 102160842) has the molecular formula C11H18N2O9S and a molecular weight of 354.34 g/mol. Its IUPAC name is [(3S,4S,5R,6S)-4,5-diacetyloxy-6-(sulfamoylamino)oxan-3-yl] acetate.

Molecular Properties

Compound Name[(3S,4S,5R,6S)-4,5-diacetyloxy-6-(sulfamoylamino)oxan-3-yl] acetate
PubChem CID102160842
Molecular FormulaC11H18N2O9S
Molecular Weight354.34 g/mol
Exact Mass354.07
IUPAC Name[(3S,4S,5R,6S)-4,5-diacetyloxy-6-(sulfamoylamino)oxan-3-yl] acetate
SMILESCC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](NS(N)(=O)=O)OC[C@@H]1OC(C)=O
InChIInChI=1S/C11H18N2O9S/c1-5(14)20-8-4-19-11(13-23(12,17)18)10(22-7(3)16)9(8)21-6(2)15/h8-11,13H,4H2,1-3H3,(H2,12,17,18)/t8-,9-,10+,11-/m0/s1
InChIKeyRUKDYPKCJQMDNH-MMWGEVLESA-N
XLogP-2.07
TPSA160.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 5-2.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [(3S,4S,5R,6S)-4,5-diacetyloxy-6-(sulfamoylamino)oxan-3-yl] acetate 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

[(3R,4S,5R,6R)-4,5,6-triacetyloxyoxan-3-yl] acetate
CID 12907258
[(3R,5S,6S)-4,5-diacetyloxy-6-[2-(sulfanylidenemethylidene)hydrazinyl]oxan-3-yl] acetate
CID 135050904
[(4S,5R,6S)-4,5-diacetyloxy-6-methyloxan-3-yl] acetate
CID 163908102
[(3R,4R,5S,6R)-4,5-diacetyloxy-6-hydroxyoxan-3-yl] acetate
CID 26280917
[(3R,4R,5R,6S)-4,5-diacetyloxy-6-hydroxyoxan-3-yl] acetate
CID 11346418
methyl (2R,3S,4S,5R)-3,4,5-triacetyloxyoxane-2-carboxylate
CID 100924415
[(3R,4S,5R,6R)-4,5-diacetyloxy-6-(4-methylanilino)oxan-3-yl] acetate
CID 23253956
[(3S,6R)-4,5-diacetyloxy-6-bromooxan-3-yl] acetate
CID 134859457
[(3R,4R,5S,6S)-4,5-diacetyloxy-6-(butoxycarbothioylamino)oxan-3-yl] acetate
CID 7614542
[(3R,4S,5R)-4,5-diacetyloxy-6-bromooxyoxan-3-yl] acetate
CID 139488832
acetyl 4-[[(2S,3R,4R,5R)-3,4,5-triacetyloxyoxan-2-yl]amino]benzoate
CID 23253965
[(3S,4S,5S,6S)-4,5-diacetyloxy-6-(hydroxymethyl)oxan-3-yl] acetate
CID 153365112

Frequently Asked Questions

What is the IUPAC name of [(3S,4S,5R,6S)-4,5-diacetyloxy-6-(sulfamoylamino)oxan-3-yl] acetate?
The IUPAC name of [(3S,4S,5R,6S)-4,5-diacetyloxy-6-(sulfamoylamino)oxan-3-yl] acetate (CID 102160842) is [(3S,4S,5R,6S)-4,5-diacetyloxy-6-(sulfamoylamino)oxan-3-yl] acetate.
What is the SMILES notation for [(3S,4S,5R,6S)-4,5-diacetyloxy-6-(sulfamoylamino)oxan-3-yl] acetate?
The canonical SMILES for [(3S,4S,5R,6S)-4,5-diacetyloxy-6-(sulfamoylamino)oxan-3-yl] acetate is CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](NS(N)(=O)=O)OC[C@@H]1OC(C)=O.
What is the InChIKey of [(3S,4S,5R,6S)-4,5-diacetyloxy-6-(sulfamoylamino)oxan-3-yl] acetate?
The InChIKey is RUKDYPKCJQMDNH-MMWGEVLESA-N. The full InChI is InChI=1S/C11H18N2O9S/c1-5(14)20-8-4-19-11(13-23(12,17)18)10(22-7(3)16)9(8)21-6(2)15/h8-11,13H,4H2,1-3H3,(H2,12,17,18)/t8-,9-,10+,11-/m0/s1.
What are the key properties of [(3S,4S,5R,6S)-4,5-diacetyloxy-6-(sulfamoylamino)oxan-3-yl] acetate?
[(3S,4S,5R,6S)-4,5-diacetyloxy-6-(sulfamoylamino)oxan-3-yl] acetate has a molecular weight of 354.34 g/mol, XLogP of -2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S,5R,6S)-4,5-diacetyloxy-6-(sulfamoylamino)oxan-3-yl] acetate is sourced from PubChem (CID 102160842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).