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32780-32-8

Basic Information
CAS No.: 32780-32-8
Name: Validamine
Molecular Structure:
Molecular Structure of 32780-32-8 (Validamine)
Formula: C7H15NO4
Molecular Weight: 177.20
Synonyms: 1-Amino-1,5,6-trideoxy-5-(hydroxymethyl)-D-chiro-inositol;PT141 Acetate;(1R,2S,3S,4S,6R)-4-amino-6-(methoxymethyl)cyclohexane-1,2,3-triol;PT-141;1D-1-amino-1,5,6-trideoxy-5-(hydroxymethyl)-chiro-inositol;D-chiro-Inositol, 1-amino-1,5,6-trideoxy-5-(hydroxymethyl)-;(1R,2S,3S,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol;D-chiro-Inositol,1-amino-1,5,6-trideoxy-5- (hydroxymethyl)-;PT141;Bremelanotide (PT-141);(1R,2S,3S,4S)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol;Validamine PT 141 Acetate;Ac-Nle-Asp-His-D-Phe-Arg-Trp-Lys-OH;PT-141 (Bremelanotide);
EINECS:
Density: 1.434 g/cm3
Melting Point:
Boiling Point: 345.6 °C at 760 mmHg
Flash Point: 162.8 °C
Solubility:
Appearance: white powder
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 106.94000
LogP: -1.89110
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Chemistry

Molecule structure of Validamine (CAS NO.32780-32-8):


IUPAC Name: (1R,2S,3S,4S,6R)-4-Amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol
Molecular Formula: C7H15NO4
Molecular Weight: 177.198300 g/mol
Appearance: white powder
Density: 1.434 g/cm3
Boiling Point: 345.6 °C at 760 mmHg
Flash Point: 162.8 °C
Index of Refraction: 1.599
Molar Refractivity: 42.22 cm3
Molar Volume: 123.5 cm3
Surface Tension: 65.3 dyne/cm
XLogP3-AA: -2.2
H-Bond Donor: 5
H-Bond Acceptor: 5
Rotatable Bond Count: 1
Exact Mass: 177.100108
MonoIsotopic Mass: 177.100108
Topological Polar Surface Area: 107
Heavy Atom Count: 12 
Canonical SMILES: C1C(C(C(C(C1N)O)O)O)CO
Isomeric SMILES: C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO
InChI: InChI=1S/C7H15NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h3-7,9-12H,1-2,8H2/t3-,4+,5-,6+,7+/m1/s1
InChIKey: GSQYAWMREAXBHF-UOYQFSTFSA-N
Product Categories: Amino Acid Derivatives; Peptide

Uses

 Validamine (CAS NO.32780-32-8) is a kind of hormones regulating endocrine.

Specification

 Validamine (CAS NO.32780-32-8) is also named as 1-Amino-1,5,6-trideoxy-5-(hydroxymethyl)-D-chiro-inositol ; D-chiro-Inositol, 1-amino-1,5,6-trideoxy-5-(hydroxymethyl)- .

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