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CAS 92517-02-7 6-O-ALPHA-D-GLUCOSYL-BETA-CYCLODEXTRIN molecular structure lightbox
CAS RN: 92517-02-7

6-O-ALPHA-D-GLUCOSYL-BETA-CYCLODEXTRIN

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251105 100mg Out of stock Inquiry
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  • Product code: starshine_CAS92517-02-7
  • Purity/Analytical Methods: >99.0%
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92517-02-7 / (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,30,35-hexakis(hydroxymethyl)-25-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol

Standard CAS: 92517-02-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
92517-02-7
Multi CAS
Yes
Molecular Formula
C48H80O40
Molecular Weight
1297.100000
Exact Mass
1296.422587
InChI
InChI=1S/C48H80O40/c49-1-9-17(56)18(57)26(65)41(74-9)73-8-16-40-25(64)33(72)48(81-16)87-39-15(7-55)79-46(31(70)23(39)62)85-37-13(5-53)77-44(29(68)21(37)60)83-35-11(3-51)75-42(27(66)19(35)58)82-34-10(2-50)76-43(28(67)20(34)59)84-36-12(4-52)78-45(30(69)22(36)61)86-38-14(6-54)80-47(88-40)32(71)24(38)63/h9-72H,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
XXFANTYPKDIONG-DGMDHIGGSA-N

Computed Properties

Structural Parameters

Heavy atom count
88
Fraction Csp3
1
Rotatable bonds
10
H-bond acceptors
40
H-bond donors
24
Molar refractivity
261.07
TPSA
633.2

LogP / Solubility

WLOGP
-17.41
MLOGP
-15.19
XLogP3
-16.6
Consensus LogP
-16.4
Log S (ESOL)
3.74
Class (ESOL)
Highly soluble
Log S (Ali)
2.37
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
5.16
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)
-22.99

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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