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CAS 86448-91-1 beta-D-Glucopyranuronic acid methyl ester tetrakis(2,2-dimethylpropanoate) molecular structure lightbox
CAS RN: 86448-91-1

beta-D-Glucopyranuronic acid methyl ester tetrakis(2,2-dimethylpropanoate)

  • Product code: SSC-195515
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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 86448-91-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

86448-91-1 / methyl (2S,3S,4S,5R,6S)-3,4,5,6-tetrakis(2,2-dimethylpropanoyloxy)oxane-2-carboxylate

Standard CAS: 86448-91-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
86448-91-1
Multi CAS
Yes
Molecular Formula
C27H44O11
Molecular Weight
544.600000
Exact Mass
544.288362
InChI
InChI=1S/C27H44O11/c1-24(2,3)20(29)35-14-15(36-21(30)25(4,5)6)17(37-22(31)26(7,8)9)19(34-16(14)18(28)33-13)38-23(32)27(10,11)12/h14-17,19H,1-13H3/t14-,15-,16-,17+,19-/m0/s1
InChIKey
UVVZYXYYDVUAQO-CWLGOENISA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Fraction Csp3
0.81
Rotatable bonds
5
H-bond acceptors
11
Molar refractivity
134.23
TPSA
140.73

LogP / Solubility

WLOGP
3.35
MLOGP
2.99
XLogP3
5.3
Consensus LogP
3.88
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.58
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-3.67

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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