[email protected]
CAS 140428-83-7 2-Azidoethyl 2,3,4,6-tetra-O-acetyl-alpha-D-mannopyranoside molecular structure lightbox
CAS RN: 140428-83-7

2-Azidoethyl 2,3,4,6-tetra-O-acetyl-alpha-D-mannopyranoside

  • Product code: starshine_CAS140428-83-7
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: 95%+
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 140428-83-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g 95%+ 0 Out of Stock Beijing Inquiry

140428-83-7 / [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-(2-azidoethoxy)oxan-2-yl]methyl acetate

Standard CAS: 140428-83-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
140428-83-7
Multi CAS
No
Molecular Formula
C16H23N3O10
Molecular Weight
417.370000
Exact Mass
417.138344
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OCCN=[N+]=[N-])OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C16H23N3O10/c1-8(20)25-7-12-13(26-9(2)21)14(27-10(3)22)15(28-11(4)23)16(29-12)24-6-5-18-19-17/h12-16H,5-7H2,1-4H3/t12-,13-,14+,15+,16+/m1/s1
InChIKey
DPAXDKFCBLGMIZ-OWYFMNJBSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.75
Rotatable bonds
9
H-bond acceptors
11
Molar refractivity
91.92
TPSA
172.42

LogP / Solubility

WLOGP
0.4
MLOGP
0.37
XLogP3
1.5
Consensus LogP
0.76
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly 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)
-4.98

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us