N-[(2S,3S,4R)-3,4-dihydroxy-1-[(3S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide

C14H27NO9 — CID 70987444

IUPACN-[(2S,3S,4R)-3,4-dihydroxy-1-[(3S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide
SMILESCC[C@@H](O)[C@@H](O)[C@H](COC1OC(CO)C(O)C(O)[C@@H]1O)NC(C)=O
InChIInChI=1S/C14H27NO9/c1-3-8(18)10(19)7(15-6(2)17)5-23-14-13(22)12(21)11(20)9(4-16)24-14/h7-14,16,18-22H,3-5H2,1-2H3,(H,15,17)/t7-,8+,9?,10-,11?,12?,13-,14?/m0/s1
InChIKeyFGLCQSZJKWUYLJ-KXIQACATSA-N
MW353.37 g/mol
LogP-3.56
Rot. Bonds8

About N-[(2S,3S,4R)-3,4-dihydroxy-1-[(3S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide

N-[(2S,3S,4R)-3,4-dihydroxy-1-[(3S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide (PubChem CID 70987444) has the molecular formula C14H27NO9 and a molecular weight of 353.37 g/mol. Its IUPAC name is N-[(2S,3S,4R)-3,4-dihydroxy-1-[(3S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S,4R)-3,4-dihydroxy-1-[(3S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide
PubChem CID70987444
Molecular FormulaC14H27NO9
Molecular Weight353.37 g/mol
Exact Mass353.17
IUPAC NameN-[(2S,3S,4R)-3,4-dihydroxy-1-[(3S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide
SMILESCC[C@@H](O)[C@@H](O)[C@H](COC1OC(CO)C(O)C(O)[C@@H]1O)NC(C)=O
InChIInChI=1S/C14H27NO9/c1-3-8(18)10(19)7(15-6(2)17)5-23-14-13(22)12(21)11(20)9(4-16)24-14/h7-14,16,18-22H,3-5H2,1-2H3,(H,15,17)/t7-,8+,9?,10-,11?,12?,13-,14?/m0/s1
InChIKeyFGLCQSZJKWUYLJ-KXIQACATSA-N
XLogP-3.56
TPSA168.94 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.37
LogP ≤ 5-3.56
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Analyze N-[(2S,3S,4R)-3,4-dihydroxy-1-[(3S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide 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

N-[(2S,3S,4R)-3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl]acetamide;hydrate
CID 158625458
N-[(2S,3S,4R)-3,4-dihydroxy-6-methyl-1-[(2S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]propanamide
CID 90899203
(3R,4R)-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptane-2,3,4,5-tetrol
CID 164799894
N-[(E,2S,3R)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-4-en-2-yl]acetamide
CID 67476915
(2R)-N-[(2S,3S,4R)-3,4-dihydroxy-6-methyl-1-[(2S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-2-yl]-2-hydroxypropanamide
CID 91511264
N-[(2S,3S,4R)-3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]-26-fluoroheptacos-26-enamide
CID 174184110
N-[(1R)-1,3-dihydroxy-1-[1-hydroxy-3-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]oxypropan-2-yl]acetamide
CID 71171250
N-[1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyundecan-2-yl]acetamide
CID 165225116
N-[1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytetracosan-2-yl]acetamide
CID 165239616
N-[1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyhexacosan-2-yl]acetamide
CID 165180967
9-(8-bromooctanoylamino)-N-[(2S,3S,4R)-3,4-dihydroxy-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]nonanamide
CID 130468251
1-[(2S,3S,4R)-3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyhexan-2-yl]-3-methylurea
CID 71182554

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,4R)-3,4-dihydroxy-1-[(3S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide?
The IUPAC name of N-[(2S,3S,4R)-3,4-dihydroxy-1-[(3S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide (CID 70987444) is N-[(2S,3S,4R)-3,4-dihydroxy-1-[(3S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3S,4R)-3,4-dihydroxy-1-[(3S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide?
The canonical SMILES for N-[(2S,3S,4R)-3,4-dihydroxy-1-[(3S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide is CC[C@@H](O)[C@@H](O)[C@H](COC1OC(CO)C(O)C(O)[C@@H]1O)NC(C)=O.
What is the InChIKey of N-[(2S,3S,4R)-3,4-dihydroxy-1-[(3S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide?
The InChIKey is FGLCQSZJKWUYLJ-KXIQACATSA-N. The full InChI is InChI=1S/C14H27NO9/c1-3-8(18)10(19)7(15-6(2)17)5-23-14-13(22)12(21)11(20)9(4-16)24-14/h7-14,16,18-22H,3-5H2,1-2H3,(H,15,17)/t7-,8+,9?,10-,11?,12?,13-,14?/m0/s1.
What are the key properties of N-[(2S,3S,4R)-3,4-dihydroxy-1-[(3S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide?
N-[(2S,3S,4R)-3,4-dihydroxy-1-[(3S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide has a molecular weight of 353.37 g/mol, XLogP of -3.56, 8 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,4R)-3,4-dihydroxy-1-[(3S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide is sourced from PubChem (CID 70987444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).