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CAS 96996-90-6 1,2,3,4,6-PENTA-O-BENZOYL-D-MANNOPYRANOSE molecular structure lightbox
CAS RN: 96996-90-6

1,2,3,4,6-PENTA-O-BENZOYL-D-MANNOPYRANOSE

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251118 100g Out of stock Inquiry
Batchno.20260316 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20251111 500g In stock Shanghai Inquiry
Batchno.20250413 5g In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: SSC-212155
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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: 25g
  • 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 96996-90-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

96996-90-6 / (3,4,5,6-tetrabenzoyloxyoxan-2-yl)methyl benzoate

Standard CAS: 96996-90-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
96996-90-6
Multi CAS
Yes
Molecular Formula
C41H32O11
Molecular Weight
700.700000
Exact Mass
700.194462
InChI
InChI=1S/C41H32O11/c42-36(27-16-6-1-7-17-27)47-26-32-33(49-37(43)28-18-8-2-9-19-28)34(50-38(44)29-20-10-3-11-21-29)35(51-39(45)30-22-12-4-13-23-30)41(48-32)52-40(46)31-24-14-5-15-25-31/h1-25,32-35,41H,26H2/t32-,33-,34+,35+,41?/m1/s1
InChIKey
JJNMLNFZFGSWQR-HKNOGKPYSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
30
Fraction Csp3
0.15
Rotatable bonds
11
H-bond acceptors
11
Molar refractivity
184.18
TPSA
140.73

LogP / Solubility

WLOGP
6.1
MLOGP
5.43
XLogP3
8.9
Consensus LogP
6.81
Log S (ESOL)
-7.73
Class (ESOL)
Insoluble
Log S (Ali)
-9.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.66

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
8

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