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CAS 61330-61-8 2,3,4,6-TETRA-O-BENZYL-ALPHA-D-MANNOPYRANOSE molecular structure lightbox
CAS RN: 61330-61-8

2,3,4,6-TETRA-O-BENZYL-ALPHA-D-MANNOPYRANOSE

  • Product code: SSC-170169
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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: ≥98%
  • 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 61330-61-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry

61330-61-8 / 3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

Standard CAS: 61330-61-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61330-61-8
Multi CAS
Yes
Molecular Formula
C34H36O6
Molecular Weight
540.600000
Exact Mass
540.251189
InChI
InChI=1S/C34H36O6/c35-34-33(39-24-29-19-11-4-12-20-29)32(38-23-28-17-9-3-10-18-28)31(37-22-27-15-7-2-8-16-27)30(40-34)25-36-21-26-13-5-1-6-14-26/h1-20,30-35H,21-25H2/t30?,31-,32+,33?,34?/m1/s1
InChIKey
OGOMAWHSXRDAKZ-PMXAQEJUSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
24
Fraction Csp3
0.29
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
1
Molar refractivity
152.03
TPSA
66.38

LogP / Solubility

WLOGP
5.68
MLOGP
5.04
XLogP3
5
Consensus LogP
5.24
Log S (ESOL)
-6.35
Class (ESOL)
Insoluble
Log S (Ali)
-8.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.45
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.99

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
7.5

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