Chemical ID: 6045837

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O[Na])Oc2c[nH]c3c2c(c(cc3)Br)Cl)O
Chemical ID:
6045837
Name [?]:
[5-acetamido-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-yl]carbonyloxysodium
SMILES [?]:
CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O[Na])Oc2c[nH]c3c2c(c(cc3)Br)Cl)O
InChi [?]:
InChI=1/C19H22BrClN2O9.Na/c1-7(25)23-15-10(26)4-19(18(29)30,32-17(15)16(28)11(27)6-24)31-12-5-22-9-3-2-8(20)14(21)13(9)12;/h2-3,5,10-11,15-17,22,24,26-28H,4,6H2,1H3,(H,23,25)(H,29,30);/q;+1/p-1
InChi Info:
AuxInfo=1/1/N:1,29,30,7,23,13,2,28,25,6,12,22,26,27,5,11,10,17,8,31,32,24,4,14,3,33,15,16,18,19,21,9;20/E:(29,30);/rA:33cCCONCCCCOCCCCOOOCOONaOCCNCCCCCCBrClO/rB:s1;d2;s2;s4;s5;s6;s7;s8;s5s9;s10;s11;s12;s13;s12;s11;s8;d17;s17;s19;s8;s21;d22;s23;s24;s22s25;d26;s27;d28;d25s29;s28;s27;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21BrClN2NaO9
All Atoms:33
Heavy Atoms:33
Chiral Atoms:6
ZAP Information [?]
Total:0.0
Area:0.0
Solvation:0.0
Coulombic:0.0
Bond Count [?]
All:35
Single:29
Double:6
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:559.725
H-Bond Donors:5
H-Bond Acceptors:10
XLogP:0.62
LogP (Chemaxon):1.84

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