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CAS 6614-35-3 6-O-α-D-Mannopyranosyl-D-Mannose molecular structure lightbox
CAS RN: 6614-35-3

6-O-α-D-Mannopyranosyl-D-Mannose

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250430 5mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS6614-35-3
  • Purity/Analytical Methods: >99.0%
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6614-35-3 / 6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

Standard CAS: 6614-35-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6614-35-3
Multi CAS
Yes
Molecular Formula
C12H22O11
Molecular Weight
342.300000
Exact Mass
342.116212
InChI
InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3?,4?,5-,6-,7?,8?,9-,10-,11?,12+/m1/s1
InChIKey
DLRVVLDZNNYCBX-MAJBQBGRSA-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
-4.7
Consensus LogP
-4.94
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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