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CAS 13224-94-7 3-O-METHYL-ALPHA-D-GLUCOPYRANOSE molecular structure lightbox
CAS RN: 13224-94-7

3-O-METHYL-ALPHA-D-GLUCOPYRANOSE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250904 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-039224
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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: >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 13224-94-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry

13224-94-7 / (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol

Standard CAS: 13224-94-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13224-94-7
Multi CAS
No
Molecular Formula
C7H14O6
Molecular Weight
194.180000
Exact Mass
194.079038
SMILES
CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O
InChI
InChI=1S/C7H14O6/c1-12-6-4(9)3(2-8)13-7(11)5(6)10/h3-11H,2H2,1H3/t3-,4-,5-,6+,7+/m1/s1
InChIKey
SCBBSJMAPKXHAH-OVHBTUCOSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
4
Molar refractivity
40.78
TPSA
99.38

LogP / Solubility

WLOGP
-2.57
MLOGP
-2.26
XLogP3
-2.1
Consensus LogP
-2.31
Log S (ESOL)
0.71
Class (ESOL)
Highly soluble
Log S (Ali)
0.7
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.97
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)
-5.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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