CAS RN: 6082-32-2
Isomaltopentaose
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock2 grade groups
- Product code: ICTI0854
- Purity/Analytical Methods: >95.0%(HPLC)
6082-32-2 / (2R,3S,4R,5R)-6-hydroxy-2,3,4,5-tetrakis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexanal
Basic Information
CAS
6082-32-2
Multi CAS
Yes
Molecular Formula
C30H52O26
Molecular Weight
828.700000
Exact Mass
828.274682
InChI
InChI=1S/C30H52O26/c31-1-7-13(37)17(41)21(45)27(49-7)53-11(5-35)25(55-29-23(47)19(43)15(39)9(3-33)51-29)26(56-30-24(48)20(44)16(40)10(4-34)52-30)12(6-36)54-28-22(46)18(42)14(38)8(2-32)50-28/h5,7-34,36-48H,1-4,6H2/t7-,8-,9-,10-,11+,12-,13-,14-,15-,16-,17+,18+,19+,20+,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-/m1/s1
InChIKey
ZFGVMMVMFNPHAQ-XAKZEXHGSA-N
Computed Properties
Structural Parameters
Heavy atom count
56
Fraction Csp3
0.97
Rotatable bonds
17
H-bond acceptors
26
H-bond donors
17
Molar refractivity
167.71
TPSA
434.82
LogP / Solubility
WLOGP
-12.08
MLOGP
-10.56
XLogP3
-9.8
Consensus LogP
-10.81
Log S (ESOL)
3.76
Class (ESOL)
Highly soluble
Log S (Ali)
2.37
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.94
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)
-16.35
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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- Purity/Analytical method: >98.0%(HPLC)
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