[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate

C12H22N2O7 — CID 24779679

IUPAC[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate
SMILESCCCNC(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C12H22N2O7/c1-3-4-13-12(19)21-11-8(14-6(2)16)10(18)9(17)7(5-15)20-11/h7-11,15,17-18H,3-5H2,1-2H3,(H,13,19)(H,14,16)/t7-,8-,9-,10-,11-/m1/s1
InChIKeyWEAGJSCGQDTQRE-ISUQUUIWSA-N
MW306.32 g/mol
LogP-1.93
Rot. Bonds5

About [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate

[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate (PubChem CID 24779679) has the molecular formula C12H22N2O7 and a molecular weight of 306.32 g/mol. Its IUPAC name is [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate.

Molecular Properties

Compound Name[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate
PubChem CID24779679
Molecular FormulaC12H22N2O7
Molecular Weight306.32 g/mol
Exact Mass306.14
IUPAC Name[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate
SMILESCCCNC(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C12H22N2O7/c1-3-4-13-12(19)21-11-8(14-6(2)16)10(18)9(17)7(5-15)20-11/h7-11,15,17-18H,3-5H2,1-2H3,(H,13,19)(H,14,16)/t7-,8-,9-,10-,11-/m1/s1
InChIKeyWEAGJSCGQDTQRE-ISUQUUIWSA-N
XLogP-1.93
TPSA137.35 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 5-1.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate?
The IUPAC name of [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate (CID 24779679) is [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate.
What is the SMILES notation for [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate?
The canonical SMILES for [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate is CCCNC(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O.
What is the InChIKey of [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate?
The InChIKey is WEAGJSCGQDTQRE-ISUQUUIWSA-N. The full InChI is InChI=1S/C12H22N2O7/c1-3-4-13-12(19)21-11-8(14-6(2)16)10(18)9(17)7(5-15)20-11/h7-11,15,17-18H,3-5H2,1-2H3,(H,13,19)(H,14,16)/t7-,8-,9-,10-,11-/m1/s1.
What are the key properties of [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate?
[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate has a molecular weight of 306.32 g/mol, XLogP of -1.93, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate is sourced from PubChem (CID 24779679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).