N-[(2R,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]oxan-3-yl]acetamide

C16H29NO9 — CID 101154106

IUPACN-[(2R,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]oxan-3-yl]acetamide
SMILESCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](C[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1NC(C)=O
InChIInChI=1S/C16H29NO9/c1-6-12(20)15(23)14(22)9(25-6)4-8-11(17-7(2)19)16(24-3)26-10(5-18)13(8)21/h6,8-16,18,20-23H,4-5H2,1-3H3,(H,17,19)/t6-,8+,9-,10+,11+,12+,13+,14+,15+,16+/m0/s1
InChIKeyHTZDOUILNACYJY-WZIRSNPCSA-N
MW379.41 g/mol
LogP-2.91
Rot. Bonds5

About N-[(2R,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]oxan-3-yl]acetamide

N-[(2R,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]oxan-3-yl]acetamide (PubChem CID 101154106) has the molecular formula C16H29NO9 and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[(2R,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]oxan-3-yl]acetamide
PubChem CID101154106
Molecular FormulaC16H29NO9
Molecular Weight379.41 g/mol
Exact Mass379.18
IUPAC NameN-[(2R,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]oxan-3-yl]acetamide
SMILESCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](C[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1NC(C)=O
InChIInChI=1S/C16H29NO9/c1-6-12(20)15(23)14(22)9(25-6)4-8-11(17-7(2)19)16(24-3)26-10(5-18)13(8)21/h6,8-16,18,20-23H,4-5H2,1-3H3,(H,17,19)/t6-,8+,9-,10+,11+,12+,13+,14+,15+,16+/m0/s1
InChIKeyHTZDOUILNACYJY-WZIRSNPCSA-N
XLogP-2.91
TPSA157.94 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.41
LogP ≤ 5-2.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze N-[(2R,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]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

N-Acetyllactosamine
CID 439271
N,N'-Diacetylchitobiose
CID 439544
beta-D-Manp-(1->4)-beta-D-GlcpNAc
CID 70698368
2-(acetylamino)-2-deoxy-4-O-beta-D-galactopyranosyl-alpha-D-glucopyranose
CID 656944
Sch 38516
CID 131016
2-(acetylamino)-4-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-beta-D-glucopyranose
CID 439326
beta-D-Galp-(1->3)-beta-D-GlcpNAc
CID 10177989
beta-D-Galp-(1->3)-(alpha-L-Fucp-(1->4))-D-GlcpNAc
CID 22806751
alpha-D-GalpNAc-(1->3)-(alpha-L-Fucp-(1->2))-beta-D-Galp
CID 49852448
5,9,13-Triethyl-14-hydroxy-1-azacyclotetradec-14-en-6-yl 3-amino-3,6-dideoxyhexopyranoside
CID 122798
[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamic acid
CID 22833609
Lacto-N-biose
CID 440994

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]oxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]oxan-3-yl]acetamide (CID 101154106) is N-[(2R,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]oxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]oxan-3-yl]acetamide is CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](C[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1NC(C)=O.
What is the InChIKey of N-[(2R,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]oxan-3-yl]acetamide?
The InChIKey is HTZDOUILNACYJY-WZIRSNPCSA-N. The full InChI is InChI=1S/C16H29NO9/c1-6-12(20)15(23)14(22)9(25-6)4-8-11(17-7(2)19)16(24-3)26-10(5-18)13(8)21/h6,8-16,18,20-23H,4-5H2,1-3H3,(H,17,19)/t6-,8+,9-,10+,11+,12+,13+,14+,15+,16+/m0/s1.
What are the key properties of N-[(2R,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]oxan-3-yl]acetamide?
N-[(2R,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]oxan-3-yl]acetamide has a molecular weight of 379.41 g/mol, XLogP of -2.91, 5 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]oxan-3-yl]acetamide is sourced from PubChem (CID 101154106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).