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CAS 1686-22-2 VANADIUM(V) OXYTRIETHOXIDE molecular structure lightbox
CAS RN: 1686-22-2

VANADIUM(V) OXYTRIETHOXIDE

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  • Product code: starshine_CAS1686-22-2
  • Purity/Analytical Methods: >99.0%
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1686-22-2 / ethanol;oxovanadium

Standard CAS: 1686-22-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1686-22-2
Multi CAS
No
Molecular Formula
C6H18O4V
Molecular Weight
205.150000
Exact Mass
205.064467
SMILES
CCO.CCO.CCO.O=[V]
InChI
InChI=1S/3C2H6O.O.V/c3*1-2-3;;/h3*3H,2H2,1H3;;
InChIKey
IDIDIJSLBFQEKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
38.97
TPSA
77.76

LogP / Solubility

WLOGP
-0.13
MLOGP
-0.11
XLogP3
-0.13
Consensus LogP
-0.12
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.89
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.06

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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