Name: (5Z)-N-(Cyclopropylmethyl)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-phenoxy-1-buten-1-yl]cyclopentyl]-5-heptenamide
SKU: 1138395-09-1

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Basic Information

Molecular Structure:
CAS No.:	1138395-09-1
Name:	(5Z)-N-(Cyclopropylmethyl)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-phenoxy-1-buten-1-yl]cyclopentyl]-5-heptenamide

Formula:	C₂₆H₃₇NO₅
Molecular Weight:	443.58
Synonyms:	(5Z)-N-(Cyclopropylmethyl)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3R)-3-Hydroxy-4-Phenoxy-1-Buten-1-Yl]Cyclopentyl]-5-Heptenamide
Density:	1.209 g/cm³
Boiling Point:	665.545 °C at 760 mmHg
Flash Point:	356.309 °C
PSA:	99.02000
LogP:	3.37410

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Specification

The (5Z)-N-(Cyclopropylmethyl)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-phenoxy-1-buten-1-yl]cyclopentyl]-5-heptenamide is an organic compound with the formula C₂₆H₃₇NO₅. With the CAS registry number 1138395-09-1, the systematic name of this chemical is (Z)-N-(cyclopropylmethyl)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-4-phenoxy-but-1-enyl]cyclopentyl]hept-5-enamide.

Physical properties about (5Z)-N-(Cyclopropylmethyl)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-phenoxy-1-buten-1-yl]cyclopentyl]-5-heptenamide are: (1)ACD/LogP: 2.54; (2)ACD/LogD (pH 5.5): 2.541; (3)ACD/LogD (pH 7.4): 2.541; (4)ACD/BCF (pH 5.5): 50.277; (5)ACD/BCF (pH 7.4): 50.277; (6)ACD/KOC (pH 5.5): 574.718; (7)ACD/KOC (pH 7.4): 574.718; (8)#H bond acceptors: 6; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 16; (11)Polar Surface Area: 99.02 Å²; (12)Index of Refraction: 1.609; (13)Molar Refractivity: 127.015 cm³; (14)Molar Volume: 366.783 cm³; (15)Polarizability: 50.353×10^-24cm³; (16)Surface Tension: 52.625 dyne/cm; (17)Density: 1.209 g/cm³; (18)Flash Point: 356.309 °C; (19)Enthalpy of Vaporization: 102.814 kJ/mol; (20)Boiling Point: 665.545 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)OCC(/C=C/[C@H]2[C@@H](C[C@@H]([C@@H]2C/C=C\CCCC(=O)NCC3CC3)O)O)O
(2)InChI: InChI=1/C26H37NO5/c28-20(18-32-21-8-4-3-5-9-21)14-15-23-22(24(29)16-25(23)30)10-6-1-2-7-11-26(31)27-17-19-12-13-19/h1,3-6,8-9,14-15,19-20,22-25,28-30H,2,7,10-13,16-18H2,(H,27,31)/b6-1-,15-14+/t20?,22-,23-,24+,25-/m1/s1
(3)InChIKey: KVKRYMGBWCAHHK-INNYEROHBB
(4)Std. InChI: InChI=1S/C26H37NO5/c28-20(18-32-21-8-4-3-5-9-21)14-15-23-22(24(29)16-25(23)30)10-6-1-2-7-11-26(31)27-17-19-12-13-19/h1,3-6,8-9,14-15,19-20,22-25,28-30H,2,7,10-13,16-18H2,(H,27,31)/b6-1-,15-14+/t20?,22-,23-,24+,25-/m1/s1
(5)Std. InChIKey: KVKRYMGBWCAHHK-INNYEROHSA-N