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CAS 604-69-3 Penta-O-acetyl-β-D-glucopyranose molecular structure lightbox
CAS RN: 604-69-3

Penta-O-acetyl-β-D-glucopyranose

  • Product code: SSC-168988
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 100g, 500g, 1000g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 604-69-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 5 In Stock Hong Kong Inquiry
100g ≥98% 5 In Stock Beijing Inquiry
500g ≥98% 3 In Stock Hong Kong Inquiry
1000g ≥98% 0 Out of Stock Beijing Inquiry

604-69-3 / (3,4,5,6-tetraacetyloxyoxan-2-yl)methyl acetate

Standard CAS: 604-69-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
604-69-3
Multi CAS
Yes
Molecular Formula
C16H22O11
Molecular Weight
390.340000
Exact Mass
390.116212
InChI
InChI=1S/C16H22O11/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
LPTITAGPBXDDGR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.69
Rotatable bonds
6
H-bond acceptors
11
Molar refractivity
83.72
TPSA
140.73

LogP / Solubility

WLOGP
-0.37
MLOGP
-0.3
XLogP3
0.6
Consensus LogP
-0.02
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-5.36

Drug-likeness / Medicinal Chemistry

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

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