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CAS 10034-19-2 1,3,4,6-Tetra-O-acetyl-2-amino-2-deoxy-a-D-glucopyranose Hydrochloride molecular structure lightbox
CAS RN: 10034-19-2

1,3,4,6-Tetra-O-acetyl-2-amino-2-deoxy-a-D-glucopyranose Hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260620 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS10034-19-2
  • Purity/Analytical Methods: >99.0%
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10034-19-2 / [(2R,3S,4R,5R,6R)-3,4,6-triacetyloxy-5-aminooxan-2-yl]methyl acetate;hydrochloride

beta-D-Glucopyranose, 2-amino-2-deoxy-, 1,3,4,6-tetraacetate, hydrochloride (1:1) | RefChem:1079655 | (2S,3R,4R,5S,6R)-6-(Acetoxymethyl)-3-aminotetrahydro-2H-pyran-2,4,5-triyl triacetate hydrochloride

Standard CAS: 10034-19-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10034-19-2
Multi CAS
Yes
Molecular Formula
C14H22ClNO9
Molecular Weight
383.780000
Exact Mass
383.098309
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(=O)C)N)OC(=O)C)OC(=O)C.Cl
InChI
InChI=1S/C14H21NO9.ClH/c1-6(16)20-5-10-12(21-7(2)17)13(22-8(3)18)11(15)14(24-10)23-9(4)19;/h10-14H,5,15H2,1-4H3;1H/t10-,11-,12-,13-,14+;/m1./s1
InChIKey
BQLUYAHMYOLHBX-XHNNQSHGSA-N
Synonyms
beta-D-Glucopyranose, 2-amino-2-deoxy-, 1,3,4,6-tetraacetate, hydrochloride (1:1) RefChem:1079655 (2S,3R,4R,5S,6R)-6-(Acetoxymethyl)-3-aminotetrahydro-2H-pyran-2,4,5-triyl triacetate hydrochloride beta-Glucosamine, tetraacetate, hydrochloride 1,3,4,6-Tetra-O-acetyl-beta-D-glucosamine hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
1
Molar refractivity
83.39
TPSA
140.45

LogP / Solubility

WLOGP
-0.55
MLOGP
-0.46
XLogP3
-0.55
Consensus LogP
-0.52
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately 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)
-5.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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