N-[(2R,3R,4S,6S)-4,6-dihydroxy-6-[(2-oxoethylamino)methyl]-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide

C13H24N2O8 — CID 20705967

IUPACN-[(2R,3R,4S,6S)-4,6-dihydroxy-6-[(2-oxoethylamino)methyl]-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](O)(CNCC=O)C[C@@H]1O
InChIInChI=1S/C13H24N2O8/c1-7(18)15-10-8(19)4-13(22,6-14-2-3-16)23-12(10)11(21)9(20)5-17/h3,8-12,14,17,19-22H,2,4-6H2,1H3,(H,15,18)/t8-,9+,10+,11+,12+,13-/m0/s1
InChIKeySISPDPAUDHCRRF-TXWLSFLZSA-N
MW336.34 g/mol
LogP-4.17
Rot. Bonds8

About N-[(2R,3R,4S,6S)-4,6-dihydroxy-6-[(2-oxoethylamino)methyl]-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide

N-[(2R,3R,4S,6S)-4,6-dihydroxy-6-[(2-oxoethylamino)methyl]-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide (PubChem CID 20705967) has the molecular formula C13H24N2O8 and a molecular weight of 336.34 g/mol. Its IUPAC name is N-[(2R,3R,4S,6S)-4,6-dihydroxy-6-[(2-oxoethylamino)methyl]-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4S,6S)-4,6-dihydroxy-6-[(2-oxoethylamino)methyl]-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide
PubChem CID20705967
Molecular FormulaC13H24N2O8
Molecular Weight336.34 g/mol
Exact Mass336.15
IUPAC NameN-[(2R,3R,4S,6S)-4,6-dihydroxy-6-[(2-oxoethylamino)methyl]-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](O)(CNCC=O)C[C@@H]1O
InChIInChI=1S/C13H24N2O8/c1-7(18)15-10-8(19)4-13(22,6-14-2-3-16)23-12(10)11(21)9(20)5-17/h3,8-12,14,17,19-22H,2,4-6H2,1H3,(H,15,18)/t8-,9+,10+,11+,12+,13-/m0/s1
InChIKeySISPDPAUDHCRRF-TXWLSFLZSA-N
XLogP-4.17
TPSA168.58 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.34
LogP ≤ 5-4.17
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2R,3R,4S,6S)-4,6-dihydroxy-6-[(2-oxoethylamino)methyl]-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-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

(2R,5R)-5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 102004932
(2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl](313C)oxane-2-carboxylic acid
CID 102405722
(5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 122374560
(2S,4R,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 42553514
(2S,4S,5R,6R)-5-(acetyl(15N)amino)-2,4-dihydroxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 169432696
(5R,6S)-5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate
CID 59331135
(4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid;gold
CID 174845928
(2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;hydrate
CID 68765363
N-[(2R,3R,4S,6S)-4,6-dihydroxy-6-[[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide
CID 22842063
methyl (2S,4S,5S)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
CID 123135732
bis((4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate);barium(2+)
CID 14074707
dicopper;tetrakis((2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate)
CID 173274703

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4S,6S)-4,6-dihydroxy-6-[(2-oxoethylamino)methyl]-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4S,6S)-4,6-dihydroxy-6-[(2-oxoethylamino)methyl]-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide (CID 20705967) is N-[(2R,3R,4S,6S)-4,6-dihydroxy-6-[(2-oxoethylamino)methyl]-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4S,6S)-4,6-dihydroxy-6-[(2-oxoethylamino)methyl]-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4S,6S)-4,6-dihydroxy-6-[(2-oxoethylamino)methyl]-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide is CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](O)(CNCC=O)C[C@@H]1O.
What is the InChIKey of N-[(2R,3R,4S,6S)-4,6-dihydroxy-6-[(2-oxoethylamino)methyl]-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide?
The InChIKey is SISPDPAUDHCRRF-TXWLSFLZSA-N. The full InChI is InChI=1S/C13H24N2O8/c1-7(18)15-10-8(19)4-13(22,6-14-2-3-16)23-12(10)11(21)9(20)5-17/h3,8-12,14,17,19-22H,2,4-6H2,1H3,(H,15,18)/t8-,9+,10+,11+,12+,13-/m0/s1.
What are the key properties of N-[(2R,3R,4S,6S)-4,6-dihydroxy-6-[(2-oxoethylamino)methyl]-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide?
N-[(2R,3R,4S,6S)-4,6-dihydroxy-6-[(2-oxoethylamino)methyl]-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide has a molecular weight of 336.34 g/mol, XLogP of -4.17, 8 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4S,6S)-4,6-dihydroxy-6-[(2-oxoethylamino)methyl]-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide is sourced from PubChem (CID 20705967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).