CAS RN: 64003-54-9
LS-TETRASACCHARIDE B
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250308 | 500μg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS64003-54-9
- Purity/Analytical Methods: >99.0%
64003-54-9 / 5-acetamido-2-[[5-acetamido-6-[3,5-dihydroxy-2-(hydroxymethyl)-6-(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxyoxan-4-yl]oxy-3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
Basic Information
CAS
64003-54-9
Multi CAS
Yes
Molecular Formula
C37H62N2O29
Molecular Weight
998.900000
Exact Mass
998.343824
InChI
InChI=1S/C37H62N2O29/c1-10(45)38-19-12(47)3-37(36(59)60,68-31(19)22(52)14(49)5-41)61-9-18-25(55)30(66-34-27(57)26(56)23(53)16(7-43)62-34)20(39-11(2)46)33(64-18)67-32-24(54)17(8-44)63-35(28(32)58)65-29(15(50)6-42)21(51)13(48)4-40/h4,12-35,41-44,47-58H,3,5-9H2,1-2H3,(H,38,45)(H,39,46)(H,59,60)/t12-,13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25+,26-,27+,28+,29+,30+,31+,32-,33-,34-,35-,37+/m0/s1
InChIKey
SFMRPVLZMVJKGZ-JRZQLMJNSA-N
Computed Properties
Structural Parameters
Heavy atom count
68
Fraction Csp3
0.89
Rotatable bonds
22
H-bond acceptors
28
H-bond donors
19
Molar refractivity
208.11
TPSA
510.09
LogP / Solubility
WLOGP
-12.59
MLOGP
-10.98
XLogP3
-11.2
Consensus LogP
-11.59
Log S (ESOL)
3.35
Class (ESOL)
Highly soluble
Log S (Ali)
1.34
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.66
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)
-17.75
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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