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CAS 57649-10-2 3-amino-3-deoxy-D-glucose hydrochloride molecular structure lightbox
CAS RN: 57649-10-2

3-amino-3-deoxy-D-glucose hydrochloride

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260303 1mg In stock Shanghai Inquiry
  • Product code: starshine_CAS57649-10-2
  • Purity/Analytical Methods: >99.0%
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57649-10-2 / (2R,3S,4S,5R)-3-amino-2,4,5,6-tetrahydroxyhexanal;hydrochloride

Standard CAS: 57649-10-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57649-10-2
Multi CAS
Yes
Molecular Formula
C6H14CLNO5
Molecular Weight
215.630000
Exact Mass
215.056050
InChI
InChI=1S/C6H13NO5.ClH/c7-5(3(10)1-8)6(12)4(11)2-9;/h1,3-6,9-12H,2,7H2;1H/t3-,4+,5+,6+;/m0./s1
InChIKey
ADFOMBKCPIMCOO-BTVCFUMJSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
5
Molar refractivity
46.39
TPSA
124.01

LogP / Solubility

WLOGP
-2.99
MLOGP
-2.63
XLogP3
-2.99
Consensus LogP
-2.87
Log S (ESOL)
1.04
Class (ESOL)
Highly soluble
Log S (Ali)
0.83
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.82
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)
-6.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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