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CAS 58459-37-3 D-RIBOSE 1-PHOSPHATE, BISCYCLOHEXYLAMMONIUM SALT molecular structure lightbox
CAS RN: 58459-37-3

D-RIBOSE 1-PHOSPHATE, BISCYCLOHEXYLAMMONIUM SALT

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260513 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS58459-37-3
  • Purity/Analytical Methods: >99.0%
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58459-37-3 / bis(cyclohexanamine);[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate

Standard CAS: 58459-37-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58459-37-3
Multi CAS
Yes
Molecular Formula
C17H37N2O8P
Molecular Weight
428.500000
Exact Mass
428.228753
InChI
InChI=1S/2C6H13N.C5H11O8P/c2*7-6-4-2-1-3-5-6;6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2*6H,1-5,7H2;2-8H,1H2,(H2,9,10,11)/t;;2-,3-,4-,5?/m..1/s1
InChIKey
SSHMAENVNUVVFI-VNISEONSSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
7
Molar refractivity
103.01
TPSA
188.72

LogP / Solubility

WLOGP
0.09
MLOGP
0.11
XLogP3
0.09
Consensus LogP
0.1
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately 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)
-5.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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