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CAS 9012-72-0 Glucan from Black Yeast molecular structure lightbox
CAS RN: 9012-72-0

Glucan from Black Yeast

  • Product code: SSC-202600
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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 9012-72-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

9012-72-0 / (2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-3,5-dihydroxy-2-(hydroxymethyl)oxan-4-yl]oxy-4-[(2S,3R,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol

Standard CAS: 9012-72-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
9012-72-0
Multi CAS
Yes
Molecular Formula
C18H32O14
Molecular Weight
472.400000
Exact Mass
472.179206
InChI
InChI=1S/C18H32O14/c19-2-9-6(22)1-7(23)17(29-9)32-16-13(26)11(4-21)30-18(14(16)27)31-15-8(24)5-28-10(3-20)12(15)25/h6-27H,1-5H2/t6-,7+,8-,9+,10+,11+,12+,13+,14+,15+,16-,17-,18-/m0/s1
InChIKey
SPMCUTIDVYCGCK-IIIGWGBSSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
14
H-bond donors
9
Molar refractivity
98.72
TPSA
228.22

LogP / Solubility

WLOGP
-5.86
MLOGP
-5.13
XLogP3
-4.3
Consensus LogP
-5.1
Log S (ESOL)
1.39
Class (ESOL)
Highly soluble
Log S (Ali)
0.8
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.29
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)
-9.76

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9

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