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CAS 23745-85-9 3-O-ALPHA-D-MANNOPYRANOSYL-D-MANNOPYRANOSE molecular structure lightbox
CAS RN: 23745-85-9

3-O-ALPHA-D-MANNOPYRANOSYL-D-MANNOPYRANOSE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250302 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS23745-85-9
  • Purity/Analytical Methods: >99.0%
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23745-85-9 / 6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,5-triol

Standard CAS: 23745-85-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23745-85-9
Multi CAS
No
Molecular Formula
C12H22O11
Molecular Weight
342.300000
Exact Mass
342.116212
SMILES
C(C1C(C(C(C(O1)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O
InChI
InChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2
InChIKey
QIGJYVCQYDKYDW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
11
H-bond donors
8
Molar refractivity
68.62
TPSA
189.53

LogP / Solubility

WLOGP
-5.4
MLOGP
-4.73
XLogP3
-4.2
Consensus LogP
-4.78
Log S (ESOL)
1.7
Class (ESOL)
Highly soluble
Log S (Ali)
1.53
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.11
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.64

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
Yes
Synthetic Accessibility
7.5

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