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CAS 49777-14-2 BLOOD GROUP B TRISACCHARIDE molecular structure lightbox
CAS RN: 49777-14-2

BLOOD GROUP B TRISACCHARIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260318 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS49777-14-2
  • Purity/Analytical Methods: >99.0%
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49777-14-2 / (2S,3S,4R,5S,6S)-2-[(3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Standard CAS: 49777-14-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
49777-14-2
Multi CAS
Yes
Molecular Formula
C18H32O15
Molecular Weight
488.400000
Exact Mass
488.174120
InChI
InChI=1S/C18H32O15/c1-5-9(23)12(26)14(28)17(30-5)32-8(4-21)16(10(24)6(22)2-19)33-18-15(29)13(27)11(25)7(3-20)31-18/h4-20,22-29H,2-3H2,1H3/t5-,6+,7+,8-,9+,10-,11-,12+,13-,14-,15+,16+,17-,18+/m0/s1
InChIKey
OZIOWHWTZWIMCZ-MPUPURDASA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
15
H-bond donors
10
Molar refractivity
99.84
TPSA
248.45

LogP / Solubility

WLOGP
-6.55
MLOGP
-5.73
XLogP3
-5.3
Consensus LogP
-5.86
Log S (ESOL)
1.65
Class (ESOL)
Highly soluble
Log S (Ali)
1.16
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.88
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-10.35

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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