1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[9-[1-carboxylato-4-oxo-4-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]butyl]-6-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-3-yl]-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoate;manganese(2+)

2.1.2 InChI

InChI=1S/C34H58N6O16.Mn/c1-38-9-11-39(21(33(53)54)5-7-27(47)35-13-23(43)29(49)31(51)25(45)17-41)15-19-3-2-4-20(37-19)16-40(12-10-38)22(34(55)56)6-8-28(48)36-14-24(44)30(50)32(52)26(46)18-42;/h2-4,21-26,29-32,41-46,49-52H,5-18H2,1H3,(H,35,47)(H,36,48)(H,53,54)(H,55,56);/q;+2/p-2/t21?,22?,23-,24-,25+,26+,29+,30+,31+,32+;/m0./s1

2.1.3 InChI Key

RJTUKXRZNYBRPN-WUILHKDESA-L

2.2 Other Identifiers

2.2.1 UNII

ANU6AE7NAP

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Mangaciclanol [inn]

2. Anu6ae7nap

3. 2169771-05-3

4. [[1,1'-[(6-methyl-3,6,9,15-tetraazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-3,9-diyl-kappan3,kappan6,kappan9,kappan15)bis[[4-(carboxy-kappao)-1-oxo-4,1-butanediyl]imino]]bis[1-deoxy-d-glucitolato]](2-)]manganese

5. [1,1'-([6-methyl-3,6,9-triaza-1(2,6)-pyridinacyclodecaphane-3,9-diyl-kappa4n1,n3,n6,n9]bis{[(4xi)-4-(carboxylato-kappao)-1-oxobutane-4,1-diyl]azanediyl})bis(1-deoxy-d-glucitol)]manganese

2.4 Create Date

2024-05-22

3 Chemical and Physical Properties

Molecular Formula	C₃₄H₅₆MnN₆O₁₆
Molecular Weight	859.8 g/mol
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	20
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	363
Heavy Atom Count	57
Formal Charge	0
Complexity	1110
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

Mangaciclanol

Mangaciclanol

ACCESS ALL DATA

CHEMISTRY

Discover Molecule Insights

Filters