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CAS 5346-90-7 α-D-Cellobiose Octaacetate molecular structure lightbox
CAS RN: 5346-90-7

α-D-Cellobiose Octaacetate

  • Product code: SSC-160807
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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: ≥97%
  • 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 5346-90-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

5346-90-7 / [(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate

Standard CAS: 5346-90-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5346-90-7
Multi CAS
Yes
Molecular Formula
C28H38O19
Molecular Weight
678.600000
Exact Mass
678.200729
InChI
InChI=1S/C28H38O19/c1-11(29)37-9-19-21(39-13(3)31)23(40-14(4)32)26(43-17(7)35)28(46-19)47-22-20(10-38-12(2)30)45-27(44-18(8)36)25(42-16(6)34)24(22)41-15(5)33/h19-28H,9-10H2,1-8H3/t19-,20-,21-,22-,23+,24+,25-,26-,27-,28+/m1/s1
InChIKey
WOTQVEKSRLZRSX-HYSGBLIFSA-N

Computed Properties

Structural Parameters

Heavy atom count
47
Fraction Csp3
0.71
Rotatable bonds
12
H-bond acceptors
19
Molar refractivity
145
TPSA
238.09

LogP / Solubility

WLOGP
-0.83
MLOGP
-0.67
XLogP3
0.2
Consensus LogP
-0.43
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
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)
-7.45

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9

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