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CAS 10036-64-3 N-ACETYL-ALPHA-D-GLUCOSAMINE molecular structure lightbox
CAS RN: 10036-64-3

N-ACETYL-ALPHA-D-GLUCOSAMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260427 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS10036-64-3
  • Purity/Analytical Methods: >99.0%
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10036-64-3 / N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-Acetylhexosamine | N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide | N-(2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl)acetamide

Standard CAS: 10036-64-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10036-64-3
Multi CAS
Yes
Molecular Formula
C8H15NO6
Molecular Weight
221.210000
Exact Mass
221.089937
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O
InChI
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m1/s1
InChIKey
OVRNDRQMDRJTHS-PVFLNQBWSA-N
Synonyms
N-Acetylhexosamine N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide N-(2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl)acetamide HexNAc N-Acetyl-Hexosamine

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
5
Molar refractivity
47.58
TPSA
119.25

LogP / Solubility

WLOGP
-3.08
MLOGP
-2.71
XLogP3
-1.7
Consensus LogP
-2.5
Log S (ESOL)
0.86
Class (ESOL)
Highly soluble
Log S (Ali)
0.85
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.22
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 44 of 44 companies. For more detailed information, please visit ECHA C&L website.

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