Cas no 118693-63-3 (Ristomycin A aglycone,56-O-(2-amino-2-deoxy-b-D-glucopyranuronosyl)-5,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-a-D-mannopyranosyl-N15-methyl-)
118693-63-3 structure
Product Name:Ristomycin A aglycone,56-O-(2-amino-2-deoxy-b-D-glucopyranuronosyl)-5,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-a-D-mannopyranosyl-N15-methyl-
CAS No:118693-63-3
MF:C71H66Cl2N8O28
MW:1550.22655820847
CID:183125
PubChem ID:16133962
Update Time:2025-04-19
Ristomycin A aglycone,56-O-(2-amino-2-deoxy-b-D-glucopyranuronosyl)-5,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-a-D-mannopyranosyl-N15-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Ristomycin A aglycone,56-O-(2-amino-2-deoxy-b-D-glucopyranuronosyl)-5,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-a-D-mannopyranosyl-N15-methyl-
- Ristomycin A aglycone,56-O-(2-amino-2-deoxy-b-D-glucopyranuronosyl)-5,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-a-D-
- 1H,15H,34H-20,23:30,33-Dietheno-3,18:35,48-bis(iminomethano)-4,8:10,14:25,28:43,47-tetrametheno-28H-[1,14,6,22]dioxadiazacyclooctacosino[4,5-m][10,2,16]benzoxadiazacyclotetracosine,ristomycin A aglycone deriv.
- DA 40926
- Ristomycin A aglycone, 56-O-(2-amino-2-deoxy-beta-D-glucopyranuronosyl)-5,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-alpha-D-mannopyranosyl-N15-methyl-
- 118693-63-3
- N-Deacyl-A40926
- DA 40
- Ristomycin A aglycone, 56-O-(2-amino-2-deoxy-.beta.-D-glucopyranuronosyl)-5,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-.alpha.-D-mannopyranosyl-N15-methyl-
- [(2S,3R,4R,5S,6S)-3-amino-6-carboxy-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-dichloro-pentahydroxy-(methylamino)-hexaoxo-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-[?]carboxylic acid
-
- Inchi: 1S/C71H66Cl2N8O28/c1-75-48-25-5-10-37(85)40(15-25)104-30-20-33(46(73)38(86)21-30)51-66(97)78-50-27-16-42(103-29-7-2-23(3-8-29)12-35(62(93)79-51)76-63(48)94)60(108-70-47(74)56(89)58(91)61(109-70)69(101)102)43(17-27)105-39-11-6-26(14-34(39)72)54(87)53-67(98)80-52(68(99)100)32-18-28(83)19-41(106-71-59(92)57(90)55(88)44(22-82)107-71)45(32)31-13-24(4-9-36(31)84)49(64(95)81-53)77-65(50)96/h2-11,13-21,35,44,47-59,61,70-71,75,82-92H,12,22,74H2,1H3,(H,76,94)(H,77,96)(H,78,97)(H,79,93)(H,80,98)(H,81,95)(H,99,100)(H,101,102)/t35-,44-,47-,48-,49-,50-,51+,52+,53+,54-,55-,56-,57+,58+,59+,61+,70-,71+/m1/s1
- InChI Key: VZDDQLYACFXSQP-KBQMXOHMSA-N
- SMILES: ClC1C=C2C=CC=1OC1C=C3C=C(C=1O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O1)O)O)N)OC1C=CC(=CC=1)C[C@@H]1C(N[C@@H](C4C(=C(C=C(C=4)OC4C(=CC=C(C=4)[C@H](C(N1)=O)NC)O)O)Cl)C(N[C@H]3C(N[C@H]1C(N[C@H](C(N[C@H](C(=O)O)C3C=C(C=C(C=3C3C(=CC=C1C=3)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)=O)[C@@H]2O)=O)=O)=O)=O
Computed Properties
- Exact Mass: 89.04771
- Monoisotopic Mass: 1548.3363589g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 21
- Hydrogen Bond Acceptor Count: 30
- Heavy Atom Count: 109
- Rotatable Bond Count: 8
- Complexity: 3270
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 18
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -3.7
- Topological Polar Surface Area: 574?2
Experimental Properties
- PSA: 63.32
Ristomycin A aglycone,56-O-(2-amino-2-deoxy-b-D-glucopyranuronosyl)-5,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-a-D-mannopyranosyl-N15-methyl- Related Literature
-
1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
Recommended suppliers
Jinan Hanyu Chemical Co.,Ltd.
Gold Member
CN Supplier
Bulk
Jiangsu Kolod Food Ingredients Co.,ltd
Gold Member
CN Supplier
Bulk
Shanghai Jinhuan Chemical CO., LTD.
Gold Member
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
CN Supplier
Bulk
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
CN Supplier
Reagent