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CAS 62258-12-2 GAL-BETA1,3(FUC-ALPHA1,4)GLCNAC-BETA1,3GAL-BETA1,4(FUC-ALPHA1,3)GLC molecular structure lightbox
CAS RN: 62258-12-2

GAL-BETA1,3(FUC-ALPHA1,4)GLCNAC-BETA1,3GAL-BETA1,4(FUC-ALPHA1,3)GLC

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251225 1mg / 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS62258-12-2
  • Purity/Analytical Methods: >99.0%
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62258-12-2 / N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-1,2,5-trihydroxy-6-oxo-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide

Standard CAS: 62258-12-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
62258-12-2
Multi CAS
Yes
Molecular Formula
C38H65NO29
Molecular Weight
999.900000
Exact Mass
999.364225
InChI
InChI=1S/C38H65NO29/c1-9-18(48)22(52)25(55)35(59-9)64-29(12(46)4-40)30(13(47)5-41)65-38-28(58)33(21(51)15(7-43)62-38)68-34-17(39-11(3)45)32(67-37-27(57)24(54)20(50)14(6-42)61-37)31(16(8-44)63-34)66-36-26(56)23(53)19(49)10(2)60-36/h4,9-10,12-38,41-44,46-58H,5-8H2,1-3H3,(H,39,45)/t9-,10-,12-,13+,14+,15+,16+,17+,18+,19+,20-,21-,22+,23+,24-,25-,26-,27+,28+,29+,30+,31+,32+,33-,34-,35-,36-,37-,38-/m0/s1
InChIKey
QNSWVQWPVUZACH-XCVMNONQSA-N

Computed Properties

Structural Parameters

Heavy atom count
68
Fraction Csp3
0.95
Rotatable bonds
19
H-bond acceptors
29
H-bond donors
18
Molar refractivity
209.12
TPSA
482.38

LogP / Solubility

WLOGP
-12.06
MLOGP
-10.52
XLogP3
-11
Consensus LogP
-11.19
Log S (ESOL)
2.81
Class (ESOL)
Highly soluble
Log S (Ali)
0.95
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.57
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)
-17.38

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
10

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