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CAS 94801-02-2 5-AZIDO-5-DEOXY-D-FRUCTOSE molecular structure lightbox
CAS RN: 94801-02-2

5-AZIDO-5-DEOXY-D-FRUCTOSE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251028 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS94801-02-2
  • Purity/Analytical Methods: >99.0%
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94801-02-2 / (3S,4S,5R)-5-(azidomethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol

Standard CAS: 94801-02-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
94801-02-2
Multi CAS
Yes
Molecular Formula
C6H11N3O5
Molecular Weight
205.170000
Exact Mass
205.069870
InChI
InChI=1S/C6H11N3O5/c7-9-8-1-3-4(11)5(12)6(13,2-10)14-3/h3-5,10-13H,1-2H2/t3-,4-,5+,6?/m1/s1
InChIKey
SCEUDJRSQLNFKT-VRPWFDPXSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
4
Molar refractivity
42.94
TPSA
138.91

LogP / Solubility

WLOGP
-1.9
MLOGP
-1.67
XLogP3
-1.2
Consensus LogP
-1.59
Log S (ESOL)
0.28
Class (ESOL)
Highly soluble
Log S (Ali)
0.13
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.22
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)
-5.32

Drug-likeness / Medicinal Chemistry

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

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