Basic Information | Post buying leads | Suppliers |
Name |
Racemomycin E |
EINECS | N/A |
CAS No. | 3484-68-2 | Density | 1.58g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C43H82N16O12 | Boiling Point | °Cat760mmHg |
Molecular Weight | 1015.41 | Flash Point | °C |
Transport Information | N/A | Appearance | N/A |
Safety | A poison by subcutaneous and intravenous routes. When heated to decomposition it emits toxic vapors of NOx. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | A poison. | |
Synonyms |
N/A |
Molecule structure of Racemomycin E (CAS NO.3484-68-2):
IUPAC Name: [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-Hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate
Molecular Weight: 1015.21118 g/mol
Molecular Formula: C43H82N16O12
Density: 1.583 g/cm3
Molar Volume: 641.41 cm3
Polarizability: 97.234×10-24 cm3
Surface Tension: 72.751 dyne/cm
XLogP3-AA: -9.1
H-Bond Donor: 18
H-Bond Acceptor: 21
Rotatable Bond Count: 35
Tautomer Count: 384
Exact Mass: 1014.629812
MonoIsotopic Mass: 1014.629812
Topological Polar Surface Area: 489
Heavy Atom Count: 71
Complexity: 1740
Defined Atom StereoCenter Count: 13
Canonical SMILES: C1C(C2C(C(=O)N1)N=C(N2)NC3C(C(C(C(O3)CO)OC(=O)N)O)NC(=O)CC(CCCNC(=O)CC
(CCCNC(=O)CC(CCCNC(=O)CC(CCCNC(=O)CC(CCCN)N)N)N)N)N)O
Isomeric SMILES: C1[C@H]([C@@H]2[C@@H](C(=O)N1)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H]
(O3)CO)OC(=O)N)O)NC(=O)C[C@H](CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCCN)N)N)N)N)N)O
InChI: InChI=1S/C43H82N16O12/c44-11-1-6-23(45)16-30(62)51-12-2-7-24(46)17-31(63)52-13-3-8-25(47)18-32(64)53-14-4-9-26(48)19-33(65)54-15-5-10-27(49)20-34(66)56-37-38(67)39(71-42(50)69)29(22-60)70-41(37)59-43-57-35-28(61)21-55-40(68)36(35)58-43/h23-29,35-39,41,60-61,67H,1-22,44-49H2,(H2,50,69)(H,51,62)(H,52,63)(H,53,64)(H,54,65)(H,55,68)(H,56,66)(H2,57,58,59)/t23-,24-,25-,26-,27-,28+,29+,35+,36-,37+,38-,39-,41+/m0/s1
InChIKey of Racemomycin E (CAS NO.3484-68-2): SFBVRPSSMVXTDR-PTESPJIQSA-N
1. | scu-mus LD50:55,800 mg/kg | ANTBAL Antibiotiki. 14 (1969),48. | ||
2. | ivn-mus LDLo:208 µg/kg | JANTAJ Journal of Antibiotics. 3 (1950),232. |
A poison by subcutaneous and intravenous routes. When heated to decomposition it emits toxic vapors of NOx.
Racemomycin E (CAS NO.3484-68-2) is named as 4H-Imidazo(4,5-c)pyridin-4-one, 2-((4-O-(aminocarbonyl)-2-deoxy-2-((3,10,17,24,31,34-hexaamino-1,8,15,22,29-pentaoxo-7,14,21,28-tetraazatetratriacont-1-yl)amino)-beta-D-gulopyranosyl)amino)-1,3a,5,6,7,7a-hexahydro-7-hydroxy-, (3aS-(23R*,10R*,17R*,24R*,31R*),3aalpha,7alpha,7abeta))- ; A 53930C ; Streptothricin B ; 4H-Imidazo(4,5-c)pyridin-4-one, 2-((2-(3-amino-6-(3-amino-6-(3-amino-6-(3-amino-6-(3,6-diaminohexanamido)hexanamido)hexanamido)hexanamido)hexanamido)-2-deoxy-beta-D-gulopyranosyl)amino)-3,3a,5,6,7,7a-hexahydro-7-hydroxy-, 6'-carbamate ; 4H-Imidazo(4,5-c)pyridin-4-one, 2-((4-O-(aminocarbonyl)-2-deoxy-2-(((3S,10S,17S,24S,31S)-3,10,17,24,31,34-hexaamino-1,8,15,22,29-pentaoxo-7,14,21,28-tetraazatetratriacont-1-yl)amino)-beta-D-gulopyranosyl)amino)-1,3a,5,6,7,7a-hexahydro-7-hydroxy-, (3aS,7R,7aS)- .
What can I do for you?
Get Best Price