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CAS 63648-81-7 Sucrose-6-acetic ester molecular structure lightbox
CAS RN: 63648-81-7

Sucrose-6-acetic ester

  • Product code: SSC-173372
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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: 1g
  • 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 63648-81-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

63648-81-7 / [(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

Standard CAS: 63648-81-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63648-81-7
Multi CAS
Yes
Molecular Formula
C14H24O12
Molecular Weight
384.330000
Exact Mass
384.126776
InChI
InChI=1S/C14H24O12/c1-5(17)23-3-7-8(18)10(20)11(21)13(24-7)26-14(4-16)12(22)9(19)6(2-15)25-14/h6-13,15-16,18-22H,2-4H2,1H3/t6-,7-,8-,9-,10+,11-,12+,13-,14+/m1/s1
InChIKey
PAOSLUFSNSSXRZ-YYAHPEQVSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.93
Rotatable bonds
6
H-bond acceptors
12
H-bond donors
7
Molar refractivity
78.19
TPSA
195.6

LogP / Solubility

WLOGP
-4.82
MLOGP
-4.22
XLogP3
-3.7
Consensus LogP
-4.25
Log S (ESOL)
1.21
Class (ESOL)
Highly soluble
Log S (Ali)
0.77
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.13
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)
-8.49

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7

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