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CAS 6082-32-2 Isomaltopentaose molecular structure lightbox
CAS RN: 6082-32-2

Isomaltopentaose

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2 package records2 with current stock2 grade groups
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Batchno.20250527 10mg In stock Inquiry
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Batchno.20250612 10mg In stock Chongqing Inquiry
  • Product code: ICTI0854
  • Purity/Analytical Methods: >95.0%(HPLC)
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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

Standard CAS: 6082-32-2 Multi CAS: Yes
Basic Information Computed Properties

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(33)13(35)14(36)8(34)3-49-27-24(46)20(42)16(38)10(54-27)5-51-29-26(48)22(44)18(40)12(56-29)6-52-30-25(47)21(43)17(39)11(55-30)4-50-28-23(45)19(41)15(37)9(2-32)53-28/h1,7-30,32-48H,2-6H2/t7-,8+,9+,10+,11+,12+,13+,14+,15+,16+,17+,18+,19-,20-,21-,22-,23+,24+,25+,26+,27-,28-,29-,30-/m0/s1
InChIKey
XYSPNTPTSPNTHM-TVKCVLHLSA-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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