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CAS 3646-68-2 D-Glucosamic Acid molecular structure lightbox
CAS RN: 3646-68-2

D-Glucosamic Acid

  • Product code: SSC-143635
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 3646-68-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Beijing Inquiry

3646-68-2 / (2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoic acid

Standard CAS: 3646-68-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3646-68-2
Multi CAS
Yes
Molecular Formula
C6H13NO6
Molecular Weight
195.170000
Exact Mass
195.074287
InChI
InChI=1S/C6H13NO6/c7-3(6(12)13)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H,12,13)/t2-,3-,4-,5-/m1/s1
InChIKey
UFYKDFXCZBTLOO-TXICZTDVSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
6
Molar refractivity
40.72
TPSA
144.24

LogP / Solubility

WLOGP
-3.53
MLOGP
-3.1
XLogP3
-5.9
Consensus LogP
-4.18
Log S (ESOL)
1.5
Class (ESOL)
Highly soluble
Log S (Ali)
1.39
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.4
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)
-6.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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