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CAS 34213-15-5 2′,3′,5′-TRI-O-BENZOYL-1-O-P-NITRO-BENZOYL D-RIBOFURANOSE molecular structure lightbox
CAS RN: 34213-15-5

2′,3′,5′-TRI-O-BENZOYL-1-O-P-NITRO-BENZOYL D-RIBOFURANOSE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250411 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS34213-15-5
  • Purity/Analytical Methods: >99.0%
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34213-15-5 / [(3R,4R,5R)-3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl] 4-nitrobenzoate

Standard CAS: 34213-15-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34213-15-5
Multi CAS
Yes
Molecular Formula
C33H25NO11
Molecular Weight
611.500000
Exact Mass
611.142761
InChI
InChI=1S/C33H25NO11/c35-29(21-10-4-1-5-11-21)41-20-26-27(43-30(36)22-12-6-2-7-13-22)28(44-31(37)23-14-8-3-9-15-23)33(42-26)45-32(38)24-16-18-25(19-17-24)34(39)40/h1-19,26-28,33H,20H2/t26-,27-,28-,33?/m1/s1
InChIKey
MOXKGYOPMYGQGF-ZZXCWJHESA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
24
Fraction Csp3
0.15
Rotatable bonds
10
H-bond acceptors
11
Molar refractivity
155.19
TPSA
157.57

LogP / Solubility

WLOGP
4.78
MLOGP
4.26
XLogP3
7.1
Consensus LogP
5.38
Log S (ESOL)
-6.38
Class (ESOL)
Insoluble
Log S (Ali)
-8.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.81
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)
-3.05

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
7

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