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CAS 56329-06-7 TRANS-ZEATIN GLUCOSIDE molecular structure lightbox
CAS RN: 56329-06-7

TRANS-ZEATIN GLUCOSIDE

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  • Product code: starshine_CAS56329-06-7
  • Purity/Analytical Methods: >99.0%
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56329-06-7 / 2-(hydroxymethyl)-6-[2-methyl-4-(7H-purin-6-ylamino)but-2-enoxy]oxane-3,4,5-triol

Standard CAS: 56329-06-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56329-06-7
Multi CAS
Yes
Molecular Formula
C16H23N5O6
Molecular Weight
381.380000
Exact Mass
381.164833
InChI
InChI=1S/C16H23N5O6/c1-8(2-3-17-14-10-15(19-6-18-10)21-7-20-14)5-26-16-13(25)12(24)11(23)9(4-22)27-16/h2,6-7,9,11-13,16,22-25H,3-5H2,1H3,(H2,17,18,19,20,21)/b8-2+/t9-,11-,12+,13-,16-/m1/s1
InChIKey
UUPDCCPAOMDMPT-HNVSNYHQSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
9
Fraction Csp3
0.56
Rotatable bonds
7
H-bond acceptors
10
H-bond donors
6
Molar refractivity
93.65
TPSA
165.87

LogP / Solubility

WLOGP
-1.47
MLOGP
-1.27
XLogP3
-0.9
Consensus LogP
-1.21
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
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)
-6.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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