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CAS 17042-40-9 4-Methoxyphenyl 2,3,4,6-Tetra-O-acetyl-α-D-mannopyranoside molecular structure lightbox
CAS RN: 17042-40-9

4-Methoxyphenyl 2,3,4,6-Tetra-O-acetyl-α-D-mannopyranoside

  • Product code: SSC-074990
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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: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 17042-40-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

17042-40-9 / [(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(4-methoxyphenoxy)oxan-2-yl]methyl acetate

Standard CAS: 17042-40-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17042-40-9
Multi CAS
No
Molecular Formula
C21H26O11
Molecular Weight
454.400000
Exact Mass
454.147512
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC2=CC=C(C=C2)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C21H26O11/c1-11(22)27-10-17-18(28-12(2)23)19(29-13(3)24)20(30-14(4)25)21(32-17)31-16-8-6-15(26-5)7-9-16/h6-9,17-21H,10H2,1-5H3/t17-,18-,19+,20+,21+/m1/s1
InChIKey
RPHXBVOPPUTUES-MJCUULBUSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.52
Rotatable bonds
8
H-bond acceptors
11
Molar refractivity
105.58
TPSA
132.89

LogP / Solubility

WLOGP
1.16
MLOGP
1.05
XLogP3
2.4
Consensus LogP
1.54
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly 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)
-4.67

Drug-likeness / Medicinal Chemistry

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

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