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CAS 3891-59-6 alpha-D-Glucose pentaacetate molecular structure lightbox
CAS RN: 3891-59-6

alpha-D-Glucose pentaacetate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250920 100g In stock Shanghai Inquiry
Batchno.20260103 1kg In stock Shanghai Inquiry
Batchno.20250401 25g In stock Shanghai Inquiry
Batchno.20251016 500g In stock Shanghai, Wuhan Inquiry
  • Product code: SSC-146517
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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: 100g
  • 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 3891-59-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Hong Kong Inquiry

3891-59-6 / [(2R,3R,4S,5R)-2,3,4,5-tetraacetyloxy-6-oxohexyl] acetate

Standard CAS: 3891-59-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3891-59-6
Multi CAS
Yes
Molecular Formula
C16H22O11
Molecular Weight
390.340000
Exact Mass
390.116212
InChI
InChI=1S/C16H22O11/c1-8(18)23-7-14(25-10(3)20)16(27-12(5)22)15(26-11(4)21)13(6-17)24-9(2)19/h6,13-16H,7H2,1-5H3/t13-,14+,15+,16+/m0/s1
InChIKey
UAOKXEHOENRFMP-ZJIFWQFVSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.62
Rotatable bonds
10
H-bond acceptors
11
Molar refractivity
84.91
TPSA
148.57

LogP / Solubility

WLOGP
-0.52
MLOGP
-0.44
XLogP3
-0.6
Consensus LogP
-0.52
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately 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)
-5.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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