Cas no 36019-37-1 ( )
structure
Product Name:
CAS No:36019-37-1
MF:C29H55N5O19
MW:777.769109964371
CID:872671
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 2-[5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-4-hydroxyoxan-3-yl]oxy-6-(hydrox
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- Inchi： 1S/C29H55N5O19/c30-2-8-23(52-28-20(44)19(43)16(40)10(4-36)48-28)18(42)13(34)27(46-8)51-24-11(5-37)49-29(21(24)45)53-25-14(38)6(31)1-7(32)22(25)50-26-12(33)17(41)15(39)9(3-35)47-26/h6-29,35-45H,1-5,30-34H2
- InChI Key： GESYZSHWHHOJFW-UHFFFAOYSA-N
- SMILES： NCC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(N)C(OC2C(O)C(OC3C(OC4C(N)C(O)C(O)C(CO)O4)C(N)CC(N)C3O)OC2CO)O1
Computed Properties
- Exact Mass: 777.349
- Monoisotopic Mass: 777.349
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 16
- Hydrogen Bond Acceptor Count: 24
- Heavy Atom Count: 53
- Rotatable Bond Count: 12
- Complexity: 1160
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 24
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
Experimental Properties
- Density: 1.69
- Boiling Point: 1094.3°C at 760 mmHg
- Flash Point: 615.6°C
- Refractive Index: 1.687
Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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