[(2S,3R,4R,5R,6R)-3,5-dihydroxy-2-(1-hydroxyheptan-3-yl)-6-(hydroxymethyl)oxan-4-yl] carbamate

C14H27NO7 — CID 67743061

IUPAC[(2S,3R,4R,5R,6R)-3,5-dihydroxy-2-(1-hydroxyheptan-3-yl)-6-(hydroxymethyl)oxan-4-yl] carbamate
SMILESCCCCC(CCO)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O
InChIInChI=1S/C14H27NO7/c1-2-3-4-8(5-6-16)12-11(19)13(22-14(15)20)10(18)9(7-17)21-12/h8-13,16-19H,2-7H2,1H3,(H2,15,20)/t8?,9-,10-,11-,12+,13+/m1/s1
InChIKeyPDLNDHNAGCTVDF-XXOUGXRWSA-N
MW321.37 g/mol
LogP-0.88
Rot. Bonds8

About [(2S,3R,4R,5R,6R)-3,5-dihydroxy-2-(1-hydroxyheptan-3-yl)-6-(hydroxymethyl)oxan-4-yl] carbamate

[(2S,3R,4R,5R,6R)-3,5-dihydroxy-2-(1-hydroxyheptan-3-yl)-6-(hydroxymethyl)oxan-4-yl] carbamate (PubChem CID 67743061) has the molecular formula C14H27NO7 and a molecular weight of 321.37 g/mol. Its IUPAC name is [(2S,3R,4R,5R,6R)-3,5-dihydroxy-2-(1-hydroxyheptan-3-yl)-6-(hydroxymethyl)oxan-4-yl] carbamate.

Molecular Properties

Compound Name[(2S,3R,4R,5R,6R)-3,5-dihydroxy-2-(1-hydroxyheptan-3-yl)-6-(hydroxymethyl)oxan-4-yl] carbamate
PubChem CID67743061
Molecular FormulaC14H27NO7
Molecular Weight321.37 g/mol
Exact Mass321.18
IUPAC Name[(2S,3R,4R,5R,6R)-3,5-dihydroxy-2-(1-hydroxyheptan-3-yl)-6-(hydroxymethyl)oxan-4-yl] carbamate
SMILESCCCCC(CCO)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O
InChIInChI=1S/C14H27NO7/c1-2-3-4-8(5-6-16)12-11(19)13(22-14(15)20)10(18)9(7-17)21-12/h8-13,16-19H,2-7H2,1H3,(H2,15,20)/t8?,9-,10-,11-,12+,13+/m1/s1
InChIKeyPDLNDHNAGCTVDF-XXOUGXRWSA-N
XLogP-0.88
TPSA142.47 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 5-0.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze [(2S,3R,4R,5R,6R)-3,5-dihydroxy-2-(1-hydroxyheptan-3-yl)-6-(hydroxymethyl)oxan-4-yl] carbamate 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 [(2S,3R,4R,5R,6R)-3,5-dihydroxy-2-(1-hydroxyheptan-3-yl)-6-(hydroxymethyl)oxan-4-yl] carbamate?
The IUPAC name of [(2S,3R,4R,5R,6R)-3,5-dihydroxy-2-(1-hydroxyheptan-3-yl)-6-(hydroxymethyl)oxan-4-yl] carbamate (CID 67743061) is [(2S,3R,4R,5R,6R)-3,5-dihydroxy-2-(1-hydroxyheptan-3-yl)-6-(hydroxymethyl)oxan-4-yl] carbamate.
What is the SMILES notation for [(2S,3R,4R,5R,6R)-3,5-dihydroxy-2-(1-hydroxyheptan-3-yl)-6-(hydroxymethyl)oxan-4-yl] carbamate?
The canonical SMILES for [(2S,3R,4R,5R,6R)-3,5-dihydroxy-2-(1-hydroxyheptan-3-yl)-6-(hydroxymethyl)oxan-4-yl] carbamate is CCCCC(CCO)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O.
What is the InChIKey of [(2S,3R,4R,5R,6R)-3,5-dihydroxy-2-(1-hydroxyheptan-3-yl)-6-(hydroxymethyl)oxan-4-yl] carbamate?
The InChIKey is PDLNDHNAGCTVDF-XXOUGXRWSA-N. The full InChI is InChI=1S/C14H27NO7/c1-2-3-4-8(5-6-16)12-11(19)13(22-14(15)20)10(18)9(7-17)21-12/h8-13,16-19H,2-7H2,1H3,(H2,15,20)/t8?,9-,10-,11-,12+,13+/m1/s1.
What are the key properties of [(2S,3R,4R,5R,6R)-3,5-dihydroxy-2-(1-hydroxyheptan-3-yl)-6-(hydroxymethyl)oxan-4-yl] carbamate?
[(2S,3R,4R,5R,6R)-3,5-dihydroxy-2-(1-hydroxyheptan-3-yl)-6-(hydroxymethyl)oxan-4-yl] carbamate has a molecular weight of 321.37 g/mol, XLogP of -0.88, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,5R,6R)-3,5-dihydroxy-2-(1-hydroxyheptan-3-yl)-6-(hydroxymethyl)oxan-4-yl] carbamate is sourced from PubChem (CID 67743061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).