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CAS 39002-30-7 1-Amino-1-deoxy-D-fructose hydrochloride molecular structure lightbox
CAS RN: 39002-30-7

1-Amino-1-deoxy-D-fructose hydrochloride

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260528 100mg In stock Inquiry
Batchno.20260116 250mg Out of stock Inquiry
Batchno.20260321 25mg In stock Inquiry
Batchno.20250412 25mg / 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS39002-30-7
  • Purity/Analytical Methods: >99.0%
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39002-30-7 / 1-amino-3,4,5,6-tetrahydroxyhexan-2-one;hydrochloride

Standard CAS: 39002-30-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39002-30-7
Multi CAS
Yes
Molecular Formula
C6H14CLNO5
Molecular Weight
215.630000
Exact Mass
215.056050
InChI
InChI=1S/C6H13NO5.ClH/c7-1-3(9)5(11)6(12)4(10)2-8;/h4-6,8,10-12H,1-2,7H2;1H/t4-,5-,6-;/m1./s1
InChIKey
BXEJEZFWNIJRIM-RWOHWRPJSA-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
46.42
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
Leadlikeness
No
Synthetic Accessibility
3

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