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CAS 66567-45-1 MALTOOCTAOSE molecular structure lightbox
CAS RN: 66567-45-1

MALTOOCTAOSE

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250320 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251010 1g In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250504 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260506 25mg In stock Shanghai Inquiry
Batchno.20250722 50mg In stock Shanghai Inquiry
Batchno.20250711 5g Out of stock Inquiry
  • Product code: starshine_CAS66567-45-1
  • Purity/Analytical Methods: >99.0%
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66567-45-1 / (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 66567-45-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66567-45-1
Multi CAS
Yes
Molecular Formula
C48H82O41
Molecular Weight
1315.100000
Exact Mass
1314.433152
InChI
InChI=1S/C48H82O41/c49-1-9-17(57)18(58)27(67)42(76-9)84-35-11(3-51)78-44(29(69)20(35)60)86-37-13(5-53)80-46(31(71)22(37)62)88-39-15(7-55)82-48(33(73)24(39)64)89-40-16(8-56)81-47(32(72)25(40)65)87-38-14(6-54)79-45(30(70)23(38)63)85-36-12(4-52)77-43(28(68)21(36)61)83-34-10(2-50)75-41(74)26(66)19(34)59/h9-74H,1-8H2/t9-,10-,11-,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-,39-,40-,41?,42-,43-,44-,45-,46-,47-,48-/m1/s1
InChIKey
RUJILUJOOCOSRO-DGMDHIGGSA-N

Computed Properties

Structural Parameters

Heavy atom count
89
Fraction Csp3
1
Rotatable bonds
22
H-bond acceptors
41
H-bond donors
26
Molar refractivity
264.42
TPSA
664.43

LogP / Solubility

WLOGP
-18.45
MLOGP
-16.1
XLogP3
-17.6
Consensus LogP
-17.38
Log S (ESOL)
5.08
Class (ESOL)
Highly soluble
Log S (Ali)
2.98
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.47
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)
-23.84

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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