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CAS 71662-13-0 ALPHA-D-GLUCOSE 1,6-DIPHOSPHATE CYCLOHEXYLAMMONIUM SALT, HYDRATE molecular structure lightbox
CAS RN: 71662-13-0

ALPHA-D-GLUCOSE 1,6-DIPHOSPHATE CYCLOHEXYLAMMONIUM SALT, HYDRATE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251112 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS71662-13-0
  • Purity/Analytical Methods: >99.0%
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71662-13-0 / tetrakis(cyclohexanamine);[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate;hydrate

Standard CAS: 71662-13-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71662-13-0
Multi CAS
Yes
Molecular Formula
C30H68N4O13P2
Molecular Weight
754.800000
Exact Mass
754.425812
InChI
InChI=1S/4C6H13N.C6H14O12P2.H2O/c4*7-6-4-2-1-3-5-6;7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15;/h4*6H,1-5,7H2;2-9H,1H2,(H2,10,11,12)(H2,13,14,15);1H2/t;;;;2-,3-,4+,5-,6-;/m....1./s1
InChIKey
DMUBREKUECBHKK-KMWDTYPGSA-N

Computed Properties

Structural Parameters

Heavy atom count
49
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
12
H-bond donors
11
Molar refractivity
185.66
TPSA
339.02

LogP / Solubility

WLOGP
1.3
MLOGP
1.21
XLogP3
1.3
Consensus LogP
1.27
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.24
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.4

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
7.5

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