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CAS 20550-04-3 .alpha.-D-Allopyranoside, methyl molecular structure lightbox
CAS RN: 20550-04-3

.alpha.-D-Allopyranoside, methyl

  • Product code: SSC-096634
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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 20550-04-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

20550-04-3 / (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol

Standard CAS: 20550-04-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20550-04-3
Multi CAS
No
Molecular Formula
C7H14O6
Molecular Weight
194.180000
Exact Mass
194.079038
SMILES
CO[C@@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5-,6-,7+/m1/s1
InChIKey
HOVAGTYPODGVJG-GKHCUFPYSA-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
-2.2
Consensus LogP
-2.34
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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