CAS No.902457-23-2,N-Acetyl Amphotericin B Suppliers

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Basic Information

Molecular Structure:
CAS No.:	902457-23-2
Name:	N-Acetyl Amphotericin B
Article Data:	2

Formula:	C₄₉H₇₅NO₁₈
Molecular Weight:	966.13
Synonyms:	(1S,3R,4E,6E,8E,10E,12E,14Z,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-(4-Acetamido-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid;
Density:	1.338 g/cm³
Melting Point:	>140°C (dec.)
Boiling Point:	1201.136 °C at 760 mmHg
Flash Point:	680.222 °C
PSA:	322.69000
LogP:	1.28000

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Specification

The CAS registry number of N-Acetyl Amphotericin B is 902457-23-2. Its molecular formula is C₄₉H₇₅NO₁₈ and molecular weight is 966.1157. Its systematic name is called (1S,3R,4E,6E,8E,10E,12E,14Z,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-(4-acetamido-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid.

Physical properties about N-Acetyl Amphotericin B are: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 0.704; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.86; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 19; (9)#H bond donors: 12; (10)#Freely Rotating Bonds: 14; (11)Index of Refraction: 1.608; (12)Molar Refractivity: 249.654 cm³; (13)Molar Volume: 721.945 cm³; (14)Surface Tension: 70.229 dyne/cm; (15)Density: 1.338 g/cm³; (16)Flash Point: 680.222 °C; (17)Enthalpy of Vaporization: 201.091 kJ/mol; (18)Boiling Point: 1201.136 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@H]1/C=C/C=C\C=C\C=C\C=C\C=C\C=C\[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)NC(=O)C)O
(2)InChI: InChI=1/C49H75NO18/c1-28-18-16-14-12-10-8-6-7-9-11-13-15-17-19-36(67-48-46(61)43(50-32(5)51)45(60)31(4)66-48)25-40-42(47(62)63)39(57)27-49(64,68-40)26-35(54)23-38(56)37(55)21-20-33(52)22-34(53)24-41(58)65-30(3)29(2)44(28)59/h6-19,28-31,33-40,42-46,48,52-57,59-61,64H,20-27H2,1-5H3,(H,50,51)(H,62,63)/b7-6+,10-8+,11-9+,14-12-,15-13+,18-16+,19-17+/t28-,29-,30-,31?,33+,34+,35-,36-,37+,38+,39-,40-,42+,43?,44+,45?,46?,48?,49+/m0/s1
(3)InChIKey: DIGUUNRLVBJXKB-OUYBBMPHBZ