CAS No.102577-03-7,Fengycin Suppliers

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Basic Information

Molecular Structure:
CAS No.:	102577-03-7
Name:	Fengycin

Formula:	C72H110N12O20
Molecular Weight:	0
Synonyms:	Fengymycin;
Density:	1.32g/cm³
Boiling Point:	1693.7°C at 760 mmHg
Flash Point:	978.1°C
PSA:	512.91000
LogP:	5.56750

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Specification

Fengycin, with the CAS NO.102577-03-7, is an antifungal lipopeptide complex produced by Bacillus subtilis strain F-29-3. It inhibits filamentous fungi but is ineffective against yeast and bacteria.

Physical properties about Fengycin are: (1)ACD/LogP: 0.799; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -2.45; (4)ACD/LogD (pH 7.4): -2.70; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 32; (10)#H bond donors: 18; (11)#Freely Rotating Bonds: 40; (12)Index of Refraction: 1.603; (13)Molar Refractivity: 379.97 cm³; (14)Molar Volume: 1105.953 cm³; (15)Polarizability: 150.632 10-24cm³; (16)Surface Tension: 71.0309982299805 dyne/cm; (17)Density: 1.323 g/cm³; (18)Flash Point: 978.093 °C; (19)Enthalpy of Vaporization: 281.312 kJ/mol; (20)Boiling Point: 1693.665 °C at 760 mmHg

You can still convert the following datas into molecular structure:
(1)SMILES:O=C(O)CC[C@H](NC(=O)CC(O)CCCCCCCCCCCCC)C(=O)N[C@@H](C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)Oc2ccc(cc2)C3)[C@H](C)CC)Cc4ccc(O)cc4)CCC(=O)N)C)CCC(=O)O)[C@@H](O)C)CCCN;
(2)Std. InChI:InChI=1S/C72H110N12O20/c1-6-8-9-10-11-12-13-14-15-16-17-20-48(87)41-58(89)76-51(32-35-59(90)91)65(96)77-50(21-18-37-73)64(95)80-55-40-46-25-29-49(30-26-46)104-72(103)61(42(3)7-2)82-67(98)54(39-45-23-27-47(86)28-24-45)81-66(97)52(31-34-57(74)88)78-69(100)56-22-19-38-84(56)71(102)43(4)75-63(94)53(33-36-60(92)93)79-70(101)62(44(5)85)83-68(55)99/h23-30,42-44,48,50-56,61-62,85-87H,6-22,31-41,73H2,1-5H3,(H2,74,88)(H,75,94)(H,76,89)(H,77,96)(H,78,100)(H,79,101)(H,80,95)(H,81,97)(H,82,98)(H,83,99)(H,90,91)(H,92,93)/t42-,43-,44+,48?,50-,51+,52+,53+,54+,55+,56+,61+,62+/m1/s1;
(3)Std. InChIKey:CUOJDWBMJMRDHN-DDVAHURASA-N