-
Name
Valiolamine
- EINECS
- CAS No. 83465-22-9
- Article Data16
- CAS DataBase
- Density 1.623 g/cm3
- Solubility
- Melting Point
- Formula C7H15NO5
- Boiling Point 368.6 °C at 760 mmHg
- Molecular Weight 193.2
- Flash Point 176.7 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms D-epi-Inositol,4-amino-3,4-dideoxy-2-C-(hydroxymethyl)-;(1S,2S,3R,4S,5S)-5-Amino-1-hydroxymethylcyclohexane-1,2,3,4-tetranol;
- PSA 72.27000
- LogP 0.30140
Valiolamine Chemical Properties
IUPAC Name: (1S,2S,3R,4S,5S)-5-Amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
Empirical Formula: C7H15NO5
Molecular Weight: 193.1977 g/mol
Freely Rotating Bonds: 7
Index of Refraction: 1.656
Molar Refractivity: 43.71 cm3
Molar Volume: 118.9 cm3
Polarizability: 17.33×10-24 cm3
Surface Tension: 86.1 dyne/cm
Density: 1.623 g/cm3
Flash Point: 176.7 °C
Enthalpy of Vaporization: 71.2 kJ/mol
Boiling Point: 368.6 °C at 760 mmHg
Vapour Pressure: 6.21E-07 mmHg at 25 °C
The molecular structure of Valiolamine (CAS NO.83465-22-9):
XLogP3-AA: -3.3
H-Bond Donor: 6
H-Bond Acceptor: 6
Rotatable Bond Count: 1
Exact Mass: 193.095023
MonoIsotopic Mass: 193.095023
Topological Polar Surface Area: 127
Heavy Atom Count: 13
Canonical SMILES: C1C(C(C(C(C1(CO)O)O)O)O)N
Isomeric SMILES: C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)N
InChI: InChI=1S/C7H15NO5/c8-3-1-7(13,2-9)6(12)5(11)4(3)10/h3-6,9-13H,1-2,8H2/t3-,4-,5+,6-,7-/m0/s1
InChIKey: VDLOJRUTNRJDJO-ZYNSJIGGSA-N
Classification Code of Valiolamine (CAS NO.83465-22-9): Drug / Therapeutic Agent
Valiolamine Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD | unreported | > 500mg/kg (500mg/kg) | European Patent Application. Vol. #63456, |
Valiolamine Specification
Valiolamine (CAS NO.83465-22-9) is also named as 4-Amino-3,4-dideoxy-2-C-(hydroxymethyl)-D-epi-inositol hydrate ; Valiolamine hydrate ; D-epi-Inositol, 4-amino-3,4-dideoxy-2-C-(hydroxymethyl)-, hydrate .
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