6-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;3-[butyl-[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]amino]propane-1-sulfonate;3-(5-carboxypentyl)-2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-sulfonate;3-[3-(5-carboxypentyl)-2-methyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl]propane-1-sulfonate;3-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)propane-1-sulfonate;4-methylbenzenesulfonate;6-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;2,3,9-trimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium;dibromide

C155H170Br2N16O33S5 — CID 161081312

IUPAC6-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;3-[butyl-[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]amino]propane-1-sulfonate;3-(5-carboxypentyl)-2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-sulfonate;3-[3-(5-carboxypentyl)-2-methyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl]propane-1-sulfonate;3-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)propane-1-sulfonate;4-methylbenzenesulfonate;6-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;2,3,9-trimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium;dibromide
SMILESCC(=O)Nc1ccc2c(c1)c1cc3c(cc1n2C)oc(C)[n+]3CCCCCC(=O)O.CCCCN(CCCS(=O)(=O)[O-])c1ccc2c(c1)c1cc3c(cc1n2C)oc(C)[n+]3CCCCCC(=O)O.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1oc2cc3[nH]c4ccc(S(=O)(=O)[O-])cc4c3cc2[n+]1CCCCCC(=O)O.Cc1oc2cc3[nH]c4ccccc4c3cc2[n+]1CCCCCC(=O)O.Cc1oc2cc3c(cc2[n+]1C)c1ccccc1n3C.Cc1oc2cc3c(cc2[n+]1CCCCCC(=O)O)c1ccccc1n3CCCS(=O)(=O)[O-].Cc1oc2cc3c(cc2[n+]1CCCS(=O)(=O)[O-])c1ccccc1n3C.[Br-].[Br-]
InChIInChI=1S/C28H37N3O6S.C23H25N3O4.C23H26N2O6S.C20H20N2O6S.C20H20N2O3.C18H18N2O4S.C16H15N2O.C7H8O3S.2BrH/c1-4-5-13-30(14-9-16-38(34,35)36)21-11-12-24-22(17-21)23-18-26-27(19-25(23)29(24)3)37-20(2)31(26)15-8-6-7-10-28(32)33;1-14(27)24-16-8-9-19-17(11-16)18-12-21-22(13-20(18)25(19)3)30-15(2)26(21)10-6-4-5-7-23(28)29;1-16-24(11-6-2-3-10-23(26)27)21-14-18-17-8-4-5-9-19(17)25(12-7-13-32(28,29)30)20(18)15-22(21)31-16;1-12-22(8-4-2-3-5-20(23)24)18-10-15-14-9-13(29(25,26)27)6-7-16(14)21-17(15)11-19(18)28-12;1-13-22(10-6-2-3-9-20(23)24)18-11-15-14-7-4-5-8-16(14)21-17(15)12-19(18)25-13;1-12-20(8-5-9-25(21,22)23)17-10-14-13-6-3-4-7-15(13)19(2)16(14)11-18(17)24-12;1-10-17(2)15-8-12-11-6-4-5-7-13(11)18(3)14(12)9-16(15)19-10;1-6-2-4-7(5-3-6)11(8,9)10;;/h11-12,17-19H,4-10,13-16H2,1-3H3,(H-,32,33,34,35,36);8-9,11-13H,4-7,10H2,1-3H3,(H-,24,27,28,29);4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3,(H-,26,27,28,29,30);6-7,9-11,21H,2-5,8H2,1H3,(H-,23,24,25,26,27);4-5,7-8,11-12,21H,2-3,6,9-10H2,1H3;3-4,6-7,10-11H,5,8-9H2,1-2H3;4-9H,1-3H3;2-5H,1H3,(H,8,9,10);2*1H/q;;;;;;+1;;;/p-1
InChIKeyWFLPOGRKDNJYTP-UHFFFAOYSA-M
MW3105.29 g/mol
LogP21.10
Rot. Bonds49

About 6-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;3-[butyl-[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]amino]propane-1-sulfonate;3-(5-carboxypentyl)-2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-sulfonate;3-[3-(5-carboxypentyl)-2-methyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl]propane-1-sulfonate;3-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)propane-1-sulfonate;4-methylbenzenesulfonate;6-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;2,3,9-trimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium;dibromide

6-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;3-[butyl-[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]amino]propane-1-sulfonate;3-(5-carboxypentyl)-2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-sulfonate;3-[3-(5-carboxypentyl)-2-methyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl]propane-1-sulfonate;3-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)propane-1-sulfonate;4-methylbenzenesulfonate;6-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;2,3,9-trimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium;dibromide (PubChem CID 161081312) has the molecular formula C155H170Br2N16O33S5 and a molecular weight of 3105.29 g/mol. Its IUPAC name is 6-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;3-[butyl-[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]amino]propane-1-sulfonate;3-(5-carboxypentyl)-2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-sulfonate;3-[3-(5-carboxypentyl)-2-methyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl]propane-1-sulfonate;3-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)propane-1-sulfonate;4-methylbenzenesulfonate;6-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;2,3,9-trimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium;dibromide.

Molecular Properties

Compound Name6-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;3-[butyl-[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]amino]propane-1-sulfonate;3-(5-carboxypentyl)-2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-sulfonate;3-[3-(5-carboxypentyl)-2-methyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl]propane-1-sulfonate;3-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)propane-1-sulfonate;4-methylbenzenesulfonate;6-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;2,3,9-trimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium;dibromide
PubChem CID161081312
Molecular FormulaC155H170Br2N16O33S5
Molecular Weight3105.29 g/mol
Exact Mass3100.91
IUPAC Name6-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;3-[butyl-[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]amino]propane-1-sulfonate;3-(5-carboxypentyl)-2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-sulfonate;3-[3-(5-carboxypentyl)-2-methyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl]propane-1-sulfonate;3-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)propane-1-sulfonate;4-methylbenzenesulfonate;6-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;2,3,9-trimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium;dibromide
SMILESCC(=O)Nc1ccc2c(c1)c1cc3c(cc1n2C)oc(C)[n+]3CCCCCC(=O)O.CCCCN(CCCS(=O)(=O)[O-])c1ccc2c(c1)c1cc3c(cc1n2C)oc(C)[n+]3CCCCCC(=O)O.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1oc2cc3[nH]c4ccc(S(=O)(=O)[O-])cc4c3cc2[n+]1CCCCCC(=O)O.Cc1oc2cc3[nH]c4ccccc4c3cc2[n+]1CCCCCC(=O)O.Cc1oc2cc3c(cc2[n+]1C)c1ccccc1n3C.Cc1oc2cc3c(cc2[n+]1CCCCCC(=O)O)c1ccccc1n3CCCS(=O)(=O)[O-].Cc1oc2cc3c(cc2[n+]1CCCS(=O)(=O)[O-])c1ccccc1n3C.[Br-].[Br-]
InChIInChI=1S/C28H37N3O6S.C23H25N3O4.C23H26N2O6S.C20H20N2O6S.C20H20N2O3.C18H18N2O4S.C16H15N2O.C7H8O3S.2BrH/c1-4-5-13-30(14-9-16-38(34,35)36)21-11-12-24-22(17-21)23-18-26-27(19-25(23)29(24)3)37-20(2)31(26)15-8-6-7-10-28(32)33;1-14(27)24-16-8-9-19-17(11-16)18-12-21-22(13-20(18)25(19)3)30-15(2)26(21)10-6-4-5-7-23(28)29;1-16-24(11-6-2-3-10-23(26)27)21-14-18-17-8-4-5-9-19(17)25(12-7-13-32(28,29)30)20(18)15-22(21)31-16;1-12-22(8-4-2-3-5-20(23)24)18-10-15-14-9-13(29(25,26)27)6-7-16(14)21-17(15)11-19(18)28-12;1-13-22(10-6-2-3-9-20(23)24)18-11-15-14-7-4-5-8-16(14)21-17(15)12-19(18)25-13;1-12-20(8-5-9-25(21,22)23)17-10-14-13-6-3-4-7-15(13)19(2)16(14)11-18(17)24-12;1-10-17(2)15-8-12-11-6-4-5-7-13(11)18(3)14(12)9-16(15)19-10;1-6-2-4-7(5-3-6)11(8,9)10;;/h11-12,17-19H,4-10,13-16H2,1-3H3,(H-,32,33,34,35,36);8-9,11-13H,4-7,10H2,1-3H3,(H-,24,27,28,29);4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3,(H-,26,27,28,29,30);6-7,9-11,21H,2-5,8H2,1H3,(H-,23,24,25,26,27);4-5,7-8,11-12,21H,2-3,6,9-10H2,1H3;3-4,6-7,10-11H,5,8-9H2,1-2H3;4-9H,1-3H3;2-5H,1H3,(H,8,9,10);2*1H/q;;;;;;+1;;;/p-1
InChIKeyWFLPOGRKDNJYTP-UHFFFAOYSA-M
XLogP21.10
TPSA680.21 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds49
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003105.29
LogP ≤ 521.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 6-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;3-[butyl-[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]amino]propane-1-sulfonate;3-(5-carboxypentyl)-2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-sulfonate;3-[3-(5-carboxypentyl)-2-methyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl]propane-1-sulfonate;3-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)propane-1-sulfonate;4-methylbenzenesulfonate;6-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;2,3,9-trimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium;dibromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;3-[butyl-[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]amino]propane-1-sulfonate;3-(5-carboxypentyl)-2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-sulfonate;3-[3-(5-carboxypentyl)-2-methyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl]propane-1-sulfonate;3-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)propane-1-sulfonate;4-methylbenzenesulfonate;6-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;2,3,9-trimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium;dibromide?
The IUPAC name of 6-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;3-[butyl-[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]amino]propane-1-sulfonate;3-(5-carboxypentyl)-2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-sulfonate;3-[3-(5-carboxypentyl)-2-methyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl]propane-1-sulfonate;3-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)propane-1-sulfonate;4-methylbenzenesulfonate;6-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;2,3,9-trimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium;dibromide (CID 161081312) is 6-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;3-[butyl-[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]amino]propane-1-sulfonate;3-(5-carboxypentyl)-2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-sulfonate;3-[3-(5-carboxypentyl)-2-methyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl]propane-1-sulfonate;3-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)propane-1-sulfonate;4-methylbenzenesulfonate;6-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;2,3,9-trimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium;dibromide.
What is the SMILES notation for 6-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;3-[butyl-[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]amino]propane-1-sulfonate;3-(5-carboxypentyl)-2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-sulfonate;3-[3-(5-carboxypentyl)-2-methyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl]propane-1-sulfonate;3-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)propane-1-sulfonate;4-methylbenzenesulfonate;6-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;2,3,9-trimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium;dibromide?
The canonical SMILES for 6-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;3-[butyl-[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]amino]propane-1-sulfonate;3-(5-carboxypentyl)-2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-sulfonate;3-[3-(5-carboxypentyl)-2-methyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl]propane-1-sulfonate;3-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)propane-1-sulfonate;4-methylbenzenesulfonate;6-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;2,3,9-trimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium;dibromide is CC(=O)Nc1ccc2c(c1)c1cc3c(cc1n2C)oc(C)[n+]3CCCCCC(=O)O.CCCCN(CCCS(=O)(=O)[O-])c1ccc2c(c1)c1cc3c(cc1n2C)oc(C)[n+]3CCCCCC(=O)O.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1oc2cc3[nH]c4ccc(S(=O)(=O)[O-])cc4c3cc2[n+]1CCCCCC(=O)O.Cc1oc2cc3[nH]c4ccccc4c3cc2[n+]1CCCCCC(=O)O.Cc1oc2cc3c(cc2[n+]1C)c1ccccc1n3C.Cc1oc2cc3c(cc2[n+]1CCCCCC(=O)O)c1ccccc1n3CCCS(=O)(=O)[O-].Cc1oc2cc3c(cc2[n+]1CCCS(=O)(=O)[O-])c1ccccc1n3C.[Br-].[Br-].
What is the InChIKey of 6-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;3-[butyl-[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]amino]propane-1-sulfonate;3-(5-carboxypentyl)-2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-sulfonate;3-[3-(5-carboxypentyl)-2-methyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl]propane-1-sulfonate;3-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)propane-1-sulfonate;4-methylbenzenesulfonate;6-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;2,3,9-trimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium;dibromide?
The InChIKey is WFLPOGRKDNJYTP-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H37N3O6S.C23H25N3O4.C23H26N2O6S.C20H20N2O6S.C20H20N2O3.C18H18N2O4S.C16H15N2O.C7H8O3S.2BrH/c1-4-5-13-30(14-9-16-38(34,35)36)21-11-12-24-22(17-21)23-18-26-27(19-25(23)29(24)3)37-20(2)31(26)15-8-6-7-10-28(32)33;1-14(27)24-16-8-9-19-17(11-16)18-12-21-22(13-20(18)25(19)3)30-15(2)26(21)10-6-4-5-7-23(28)29;1-16-24(11-6-2-3-10-23(26)27)21-14-18-17-8-4-5-9-19(17)25(12-7-13-32(28,29)30)20(18)15-22(21)31-16;1-12-22(8-4-2-3-5-20(23)24)18-10-15-14-9-13(29(25,26)27)6-7-16(14)21-17(15)11-19(18)28-12;1-13-22(10-6-2-3-9-20(23)24)18-11-15-14-7-4-5-8-16(14)21-17(15)12-19(18)25-13;1-12-20(8-5-9-25(21,22)23)17-10-14-13-6-3-4-7-15(13)19(2)16(14)11-18(17)24-12;1-10-17(2)15-8-12-11-6-4-5-7-13(11)18(3)14(12)9-16(15)19-10;1-6-2-4-7(5-3-6)11(8,9)10;;/h11-12,17-19H,4-10,13-16H2,1-3H3,(H-,32,33,34,35,36);8-9,11-13H,4-7,10H2,1-3H3,(H-,24,27,28,29);4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3,(H-,26,27,28,29,30);6-7,9-11,21H,2-5,8H2,1H3,(H-,23,24,25,26,27);4-5,7-8,11-12,21H,2-3,6,9-10H2,1H3;3-4,6-7,10-11H,5,8-9H2,1-2H3;4-9H,1-3H3;2-5H,1H3,(H,8,9,10);2*1H/q;;;;;;+1;;;/p-1.
What are the key properties of 6-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;3-[butyl-[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]amino]propane-1-sulfonate;3-(5-carboxypentyl)-2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-sulfonate;3-[3-(5-carboxypentyl)-2-methyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl]propane-1-sulfonate;3-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)propane-1-sulfonate;4-methylbenzenesulfonate;6-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;2,3,9-trimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium;dibromide?
6-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;3-[butyl-[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]amino]propane-1-sulfonate;3-(5-carboxypentyl)-2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-sulfonate;3-[3-(5-carboxypentyl)-2-methyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl]propane-1-sulfonate;3-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)propane-1-sulfonate;4-methylbenzenesulfonate;6-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;2,3,9-trimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium;dibromide has a molecular weight of 3105.29 g/mol, XLogP of 21.10, 49 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;3-[butyl-[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]amino]propane-1-sulfonate;3-(5-carboxypentyl)-2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-sulfonate;3-[3-(5-carboxypentyl)-2-methyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-9-yl]propane-1-sulfonate;3-(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)propane-1-sulfonate;4-methylbenzenesulfonate;6-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid;2,3,9-trimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium;dibromide is sourced from PubChem (CID 161081312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).