Pironetin supplier | CasNO.151519-02-7

Name
Pironetin
EINECS
CAS No. 151519-02-7
Article Data11
CAS DataBase
Density 0.993 g/cm³
Solubility
Melting Point 75-77 °C
Formula C₁₉H₃₂O₄
Boiling Point 473.1 °C at 760 mmHg
Molecular Weight 324.45
Flash Point 160.3 °C
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Synonyms 2H-Pyran-2-one, 5-ethyl-5,6-dihydro-6-(2-hydroxy-4-methoxy-3,5-dimethyl-7-nonenyl)-, (5R-(5α,6α(2R*,3S*,4R*,5S*,7E)))-;2H-Pyran-2-one,5-ethyl-5,6-dihydro-6-[(2R,3S,4R,5S,7E)-2-hydroxy-4-methoxy-3,5-dimethyl-7-nonenyl]-,(5R,6R)- (9CI);(-)-Pironetin;NK 10958;NL 9C;PA 48153c;2H-Pyran-2-one,5-ethyl-5,6-dihydro-6-[(2R,3S,4R,5S,7E)-2-hydroxy-4-methoxy-3,5-dimethyl-7-nonen-1-yl]-,(5R,6R)-;(5R,6R)-5-Ethyl-6-[(2R,3S,4R,5S,7E)-2-hydroxy-4-methoxy-3,5-dimethylnon-7-en-1-yl]-5,6-dihydro-2H-pyran-2-one;
PSA 55.76000
LogP 3.49860

Pironetin Specification

The Pironetin, with the CAS registry number 151519-02-7, is also known as 2H-Pyran-2-one,5-ethyl-5,6-dihydro-6-[(2R,3S,4R,5S,7E)-2-hydroxy-4-methoxy-3,5-dimethyl-7-nonen-1-yl]-,(5R,6R)-. This chemical's molecular formula is C₁₉H₃₂O₄ and molecular weight is 324.45. What's more, its systematic name is (2R,3R)-3-ethyl-2-[(E,2R,3S,4R,5S)-2-hydroxy-4-methoxy-3,5-dimethylnon-7-enyl]-2,3-dihydropyran-6-one.

Physical properties of Pironetin are: (1)ACD/LogP: 3.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.23; (4)ACD/LogD (pH 7.4): 3.23; (5)ACD/BCF (pH 5.5): 169.27; (6)ACD/BCF (pH 7.4): 169.27; (7)ACD/KOC (pH 5.5): 1370.32; (8)ACD/KOC (pH 7.4): 1370.32; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 92.55 cm³; (15)Molar Volume: 326.4 cm³; (16)Polarizability: 36.69×10^-24cm³; (17)Surface Tension: 33.8 dyne/cm; (18)Density: 0.993 g/cm³; (19)Flash Point: 160.3 °C; (20)Enthalpy of Vaporization: 84.87 kJ/mol; (21)Boiling Point: 473.1 °C at 760 mmHg; (22)Vapour Pressure: 6.14E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC1C=CC(=O)OC1CC(C(C)C(C(C)CC=CC)OC)O
(2)Isomeric SMILES: CC[C@@H]1C=CC(=O)O[C@@H]1C[C@H]([C@H](C)[C@@H]([C@@H](C)C/C=C/C)OC)O
(3)InChI: InChI=1S/C19H32O4/c1-6-8-9-13(3)19(22-5)14(4)16(20)12-17-15(7-2)10-11-18(21)23-17/h6,8,10-11,13-17,19-20H,7,9,12H2,1-5H3/b8-6+/t13-,14-,15+,16+,17+,19+/m0/s1
(4)InChIKey: XIHGDBYGUWEHCV-FSEPSNHWSA-N

Product Name

Pironetin

Pironetin Specification

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