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CAS 10470-80-1 5-Thio-D-glucopyranose 1,2,3,4,6-pentaacetate molecular structure lightbox
CAS RN: 10470-80-1

5-Thio-D-glucopyranose 1,2,3,4,6-pentaacetate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251214 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-006459
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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: 0.25g
  • 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 10470-80-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry

10470-80-1 / [(2R,3S,4S,5R)-3,4,5,6-tetraacetyloxythian-2-yl]methyl acetate

(3,4,5,6-tetraacetyloxythian-2-yl)methyl acetate | Acetyl-2,3,4,6-tetra-O-acetyl-5-thio-d-glucopyranoside | 5-Thio-D-glucopyranose 1,2,3,4,6-pentaacetate

Standard CAS: 10470-80-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10470-80-1
Multi CAS
Yes
Molecular Formula
C16H22O10S
Molecular Weight
406.400000
Exact Mass
406.093368
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(S1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C16H22O10S/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3
InChIKey
RFPPVTQRDZKNPS-UHFFFAOYSA-N
Synonyms
(3,4,5,6-tetraacetyloxythian-2-yl)methyl acetate Acetyl-2,3,4,6-tetra-O-acetyl-5-thio-d-glucopyranoside 5-Thio-D-glucopyranose 1,2,3,4,6-pentaacetate 1,2,3,4,6-Penta-O-acetyl-5-thio-D-glucose RFPPVTQRDZKNPS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.69
Rotatable bonds
6
H-bond acceptors
11
Molar refractivity
90.23
TPSA
131.5

LogP / Solubility

WLOGP
0.35
MLOGP
0.33
XLogP3
0.5
Consensus LogP
0.39
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
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)
-4.95

Drug-likeness / Medicinal Chemistry

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

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