Cas no 136598-72-6 (Mycinamycin XVI)
Mycinamycin XVI structure
Product Name:Mycinamycin XVI
CAS No:136598-72-6
MF:C37H63NO11
MW:697.896232843399
CID:2005812
PubChem ID:156580447
Update Time:2025-04-21
Mycinamycin XVI Chemical and Physical Properties
Names and Identifiers
-
- Mycinamycin XVI
- Mycinamicin XVI
- 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-10-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-trien-2-one
- 136598-72-6
- (5S,6S,7R,9R,15R,16R)-6-[(2S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-10-hydroxy-15-[[(2R,3S,4S,5S)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-trien-2-one
- 6-(4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl)oxy-16-ethyl-10-hydroxy-15-((5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-trien-2-one
- (5S,6S,7R,9R,15R,16R)-6-((2S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl)oxy-16-ethyl-10-hydroxy-15-(((2R,3S,4S,5S)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-trien-2-one
- CHEBI:215249
-
- Inchi： 1S/C37H63NO11/c1-11-29-26(20-45-37-35(44-10)34(43-9)31(41)25(6)47-37)14-12-13-15-28(39)22(3)18-23(4)33(21(2)16-17-30(40)48-29)49-36-32(42)27(38(7)8)19-24(5)46-36/h12-17,21-29,31-37,39,41-42H,11,18-20H2,1-10H3
- InChI Key： NQADLTSQCBMZJF-UHFFFAOYSA-N
- SMILES： CCC1C(COC2C(OC)C(OC)C(O)C(C)O2)C=CC=CC(O)C(C)CC(C)C(OC2C(O)C(N(C)C)CC(C)O2)C(C)C=CC(=O)O1
Computed Properties
- Exact Mass: 697.44011183Da
- Monoisotopic Mass: 697.44011183Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 49
- Rotatable Bond Count: 9
- Complexity: 1080
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 12
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 3
- XLogP3: 2.473
- Topological Polar Surface Area: 146?2
Mycinamycin XVI Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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