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CAS 1314-68-7 RHENIUM(VII) OXIDE molecular structure lightbox
CAS RN: 1314-68-7

RHENIUM(VII) OXIDE

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  • Product code: starshine_CAS1314-68-7
  • Purity/Analytical Methods: >99.0%
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1314-68-7 / trioxo(trioxorheniooxy)rhenium

Standard CAS: 1314-68-7 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1314-68-7
Multi CAS
No
Molecular Formula
O7Re2
Molecular Weight
484.410000
Exact Mass
483.873110
SMILES
O=[Re](=O)(=O)O[Re](=O)(=O)=O
InChI
InChI=1S/7O.2Re
InChIKey
NBGOSNNAAHDRLK-UHFFFAOYSA-N

Physical Properties

Physical Description
Canary yellow solid; Highly deliquescent; [Merck Index] Yellow or greenish-yellow powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
9
Rotatable bonds
2
H-bond acceptors
7
Molar refractivity
5.2
TPSA
111.65

LogP / Solubility

WLOGP
-0.79
MLOGP
-0.66
XLogP3
-0.79
Consensus LogP
-0.75
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
Class (SILICOS-IT)
Moderately 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)
-6.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (44.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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