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CAS 50787-09-2 2-ACETAMIDO-2-DEOXY-3-O-(BETA-D-GALACTOPYRANOSYL)-D-GLUCOPYRANOSE molecular structure lightbox
CAS RN: 50787-09-2

2-ACETAMIDO-2-DEOXY-3-O-(BETA-D-GALACTOPYRANOSYL)-D-GLUCOPYRANOSE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250224 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS50787-09-2
  • Purity/Analytical Methods: >99.0%
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50787-09-2 / N-[2,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

Standard CAS: 50787-09-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50787-09-2
Multi CAS
Yes
Molecular Formula
C14H25NO11
Molecular Weight
383.350000
Exact Mass
383.142761
InChI
InChI=1S/C14H25NO11/c1-5(19)15-6(2-16)13(9(21)7(20)3-17)26-14-12(24)11(23)10(22)8(4-18)25-14/h2,6-14,17-18,20-24H,3-4H2,1H3,(H,15,19)/t6-,7+,8+,9+,10-,11-,12+,13+,14-/m0/s1
InChIKey
QCQYVCMYGCHVMR-ZBELOFFLSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.93
Rotatable bonds
5
H-bond acceptors
11
H-bond donors
8
Molar refractivity
80.22
TPSA
198.4

LogP / Solubility

WLOGP
-5.25
MLOGP
-4.6
XLogP3
-4.2
Consensus LogP
-4.68
Log S (ESOL)
1.42
Class (ESOL)
Highly soluble
Log S (Ali)
1.09
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.61
Class (SILICOS-IT)
Highly soluble

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
No
Log Kp (skin permeation)
-8.79

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5

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