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CAS 2250404-17-0 3-Azido-3-deoxy-D-galactose molecular structure lightbox
CAS RN: 2250404-17-0

3-Azido-3-deoxy-D-galactose

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250204 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2250404-17-0
  • Purity/Analytical Methods: >99.0%
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2250404-17-0 / (2R,3S,4R,5R)-3-azido-2,4,5,6-tetrahydroxyhexanal

Standard CAS: 2250404-17-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2250404-17-0
Multi CAS
No
Molecular Formula
C6H11N3O5
Molecular Weight
205.170000
Exact Mass
205.069870
SMILES
C([C@H]([C@@H]([C@@H]([C@H](C=O)O)N=[N+]=[N-])O)O)O
InChI
InChI=1S/C6H11N3O5/c7-9-8-5(3(12)1-10)6(14)4(13)2-11/h1,3-6,11-14H,2H2/t3-,4+,5+,6-/m0/s1
InChIKey
RVIYUNZFIFEVGL-KCDKBNATSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.83
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
4
Molar refractivity
44.1
TPSA
146.75

LogP / Solubility

WLOGP
-2.06
MLOGP
-1.81
XLogP3
-1.9
Consensus LogP
-1.92
Log S (ESOL)
0.58
Class (ESOL)
Highly soluble
Log S (Ali)
0.25
Class (Ali)
Highly soluble
Class (SILICOS-IT)
Very 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)
-5.43

Drug-likeness / Medicinal Chemistry

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

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