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235114-32-6

Basic Information
CAS No.: 235114-32-6
Name: Micafungin
Article Data: 5
Molecular Structure:
Molecular Structure of 235114-32-6 (Micafungin)
Formula: C56H71N9O23S
Molecular Weight: 1270.29
Synonyms: Mycamine;1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloheneicosine-20-propanamide, 23-[1,2-dihydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]ethyl]tetracosahydro-β,2,11,12,15-pentahydroxy-6-(1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxo-9-[[4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]benzoyl]amino]-;
EINECS: 1806241-263-5
Density: 1.62 g/cm3
PSA: 518.52000
LogP: -0.53900
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  • High Quality Micafungin

  • Casno:

    235114-32-6

    High Quality Micafungin

    Min.Order: 1 Kilogram

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    Product name: Micafungin CAS No.:235114-32-6 Molecule Formula:C56H71N9O23S Molecule Weight:1270.27 Purity: 99.0% Package: 25kg/drum Description: White powder Manufacture Standards:Enterprise Standard TESTING ITEMS

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  • Micafungin

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    235114-32-6

    Micafungin

    Min.Order: 1 Gram

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  • Micafungin Manufacturer/High quality/Best price/In stock

  • Casno:

    235114-32-6

    Micafungin Manufacturer/High quality/Best price/In stock

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0

    Why choice me: √1, We guarantee deeply analyze and demonstrate, purity more than 99% √ 2, Factory outlet with priority price & large stock. √ 3, Special magic vacuum safe package & safe shipping way.All parcel

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Specification

The CAS registry number of Micafungin is 235114-32-6. The IUPAC name is 5-{2-[20-(3-amino-1-hydroxy-3-oxopropyl)-2,11,12,15-tetrahydroxy-6-(1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxo-9-{[(4-{5-[4-(pentyloxy)phenyl]isoxazol-3-yl}phenyl)carbonyl]amino}tetracosahydro- 1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl]-1,2-dihydroxyethyl}-2-hydroxyphenyl hydrogen sulfate. In addition, the molecular formula is C56H71N9O23S and the molecular weight is 1270.27. It belongs to the class of Antifungals.

Physical properties about this chemical are: (1)ACD/LogP: -6.95; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -10.44; (4)ACD/LogD (pH 7.4): -10.48; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 32; (10)#H bond donors: 17; (11)#Freely Rotating Bonds: 27; (12)Polar Surface Area: 341.79 Å2; (13)Index of Refraction: 1.706; (14)Molar Refractivity: 304.98 cm3; (15)Molar Volume: 783.4 cm3; (16)Polarizability: 120.9 ×10-24cm3; (17)Surface Tension: 104.7 dyne/cm; (18)Density: 1.62 g/cm3.

Uses of Micafungin: it is an antifungal drug, which inhibits the production of beta-1,3-glucan. The beta-1,3-glucan is an essential component of fungal cell walls. Moreover, it can be used to treat of acute disseminated candidiasis, candida peritonitis, abscesses and esophageal candidiasis.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)Oc1c(O)ccc(c1)C(O)C(O)C3C(=O)NC(C(=O)N2CC(C)C(O)C2C(=O)NC(O)C(O)CC(C(=O)NC(C(=O)N4C(C(=O)N3)CC(O)C4)C(O)C)NC(=O)c7ccc(c5noc(c5)c6ccc(OCCCCC)cc6)cc7)C(O)CC(=O)N
(2)InChI: InChI=1/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)
(3)InChIKey: PIEUQSKUWLMALL-UHFFFAOYAN