CAS RN: 38899-05-7

D-GLUCOSAMINE SULFATE SODIUM SALT, 30目

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  • Product code: LIND850115
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38899-05-7 / disodium;bis((2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal);sulfuric acid;dichloride

Standard CAS: 38899-05-7 Multi CAS: Yes

Basic Information

CAS
38899-05-7
Multi CAS
Yes
Molecular Formula
C12H28CL2N2NA2O14S
Molecular Weight
573.300000
Exact Mass
572.043369
InChI
InChI=1S/2C6H13NO5.2ClH.2Na.H2O4S/c2*7-3(1-8)5(11)6(12)4(10)2-9;;;;;1-5(2,3)4/h2*1,3-6,9-12H,2,7H2;2*1H;;;(H2,1,2,3,4)/q;;;;2*+1;/p-2/t2*3-,4+,5+,6+;;;;;/m00...../s1
InChIKey
SNILGVJTEVNNRV-VQRMJQQYSA-L

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.83
Rotatable bonds
10
H-bond acceptors
14
H-bond donors
12
Molar refractivity
92.47
TPSA
322.62

LogP / Solubility

WLOGP
-19.46
MLOGP
-17.08
XLogP3
-19.46
Consensus LogP
-18.67
Log S (ESOL)
9.53
Class (ESOL)
Highly soluble
Log S (Ali)
9.79
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
11.57
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-20.03

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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