[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-(methylcarbamoyl)oxan-3-yl] acetate

C10H17NO6 — CID 67643474

IUPAC[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-(methylcarbamoyl)oxan-3-yl] acetate
SMILESCNC(=O)[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OC(C)=O
InChIInChI=1S/C10H17NO6/c1-4-6(13)7(14)8(17-5(2)12)9(16-4)10(15)11-3/h4,6-9,13-14H,1-3H3,(H,11,15)/t4-,6+,7+,8-,9-/m1/s1
InChIKeyURAQQERWAKHNTI-DFPOFIQKSA-N
MW247.25 g/mol
LogP-1.83
Rot. Bonds2

About [(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-(methylcarbamoyl)oxan-3-yl] acetate

[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-(methylcarbamoyl)oxan-3-yl] acetate (PubChem CID 67643474) has the molecular formula C10H17NO6 and a molecular weight of 247.25 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-(methylcarbamoyl)oxan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-(methylcarbamoyl)oxan-3-yl] acetate
PubChem CID67643474
Molecular FormulaC10H17NO6
Molecular Weight247.25 g/mol
Exact Mass247.11
IUPAC Name[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-(methylcarbamoyl)oxan-3-yl] acetate
SMILESCNC(=O)[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OC(C)=O
InChIInChI=1S/C10H17NO6/c1-4-6(13)7(14)8(17-5(2)12)9(16-4)10(15)11-3/h4,6-9,13-14H,1-3H3,(H,11,15)/t4-,6+,7+,8-,9-/m1/s1
InChIKeyURAQQERWAKHNTI-DFPOFIQKSA-N
XLogP-1.83
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-1.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-(methylcarbamoyl)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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-(methylcarbamoyl)oxan-3-yl] acetate?
The IUPAC name of [(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-(methylcarbamoyl)oxan-3-yl] acetate (CID 67643474) is [(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-(methylcarbamoyl)oxan-3-yl] acetate.
What is the SMILES notation for [(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-(methylcarbamoyl)oxan-3-yl] acetate?
The canonical SMILES for [(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-(methylcarbamoyl)oxan-3-yl] acetate is CNC(=O)[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-(methylcarbamoyl)oxan-3-yl] acetate?
The InChIKey is URAQQERWAKHNTI-DFPOFIQKSA-N. The full InChI is InChI=1S/C10H17NO6/c1-4-6(13)7(14)8(17-5(2)12)9(16-4)10(15)11-3/h4,6-9,13-14H,1-3H3,(H,11,15)/t4-,6+,7+,8-,9-/m1/s1.
What are the key properties of [(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-(methylcarbamoyl)oxan-3-yl] acetate?
[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-(methylcarbamoyl)oxan-3-yl] acetate has a molecular weight of 247.25 g/mol, XLogP of -1.83, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-(methylcarbamoyl)oxan-3-yl] acetate is sourced from PubChem (CID 67643474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).