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CAS 470-55-3 STACHYOSE molecular structure lightbox
CAS RN: 470-55-3

STACHYOSE

  • Product code: SSC-154065
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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: 5g
  • 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 470-55-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

470-55-3 / (2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6S)-6-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 470-55-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
470-55-3
Multi CAS
Yes
Molecular Formula
C24H42O21
Molecular Weight
666.600000
Exact Mass
666.221858
InChI
InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10-,11+,12+,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+/m1/s1
InChIKey
UQZIYBXSHAGNOE-SWXGLOGKSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
21
H-bond donors
14
Molar refractivity
133.91
TPSA
347.83

LogP / Solubility

WLOGP
-9.75
MLOGP
-8.52
XLogP3
-8
Consensus LogP
-8.76
Log S (ESOL)
2.89
Class (ESOL)
Highly soluble
Log S (Ali)
2.01
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.78
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-13.71

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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