chloromethyl-dimethyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-[2-oxo-2-[(3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]-prop-2-ynylazanium;dimethyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-prop-2-ynyl-[2-[(3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxyethyl]azanium;fluoromethyl-methyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium

C100H152ClFN5O49+5 — CID 163816978

IUPACchloromethyl-dimethyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-[2-oxo-2-[(3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]-prop-2-ynylazanium;dimethyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-prop-2-ynyl-[2-[(3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxyethyl]azanium;fluoromethyl-methyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium
SMILESC#CC[N+](C)(C)CC(=O)OC1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O.C#CC[N+](C)(C)CCOC1OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O.C#CC[N+](C)(C)CCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O.C#CC[N+](C)(CF)CCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](OCC[N+](C)(C)CCl)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C21H31FNO10.C21H30NO11.C21H32NO10.C19H31ClNO10.C18H28NO8/c1-7-8-23(6,12-22)9-10-28-21-20(32-16(5)27)19(31-15(4)26)18(30-14(3)25)17(33-21)11-29-13(2)24;1-8-9-22(6,7)10-17(27)33-21-20(31-15(5)26)19(30-14(4)25)18(29-13(3)24)16(32-21)11-28-12(2)23;1-8-9-22(6,7)10-11-27-21-20(31-16(5)26)19(30-15(4)25)18(29-14(3)24)17(32-21)12-28-13(2)23;1-11(22)27-9-15-16(28-12(2)23)17(29-13(3)24)18(30-14(4)25)19(31-15)26-8-7-21(5,6)10-20;1-7-8-19(5,6)9-10-23-18-17(27-14(4)22)16(26-13(3)21)15(11-24-18)25-12(2)20/h1,17-21H,8-12H2,2-6H3;1,16,18-21H,9-11H2,2-7H3;1,17-21H,9-12H2,2-7H3;15-19H,7-10H2,1-6H3;1,15-18H,8-11H2,2-6H3/q5*+1/t17-,18-,19+,20-,21-,23?;16-,18-,19+,20-,21?;17-,18-,19+,20-,21-;15-,16-,17+,18-,19-;15-,16+,17-,18?/m11111/s1
InChIKeyZRILEDJRYWUAFZ-FFLUMQFESA-N
MW2262.75 g/mol
LogP-0.57
Rot. Bonds48

About chloromethyl-dimethyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-[2-oxo-2-[(3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]-prop-2-ynylazanium;dimethyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-prop-2-ynyl-[2-[(3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxyethyl]azanium;fluoromethyl-methyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium

chloromethyl-dimethyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-[2-oxo-2-[(3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]-prop-2-ynylazanium;dimethyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-prop-2-ynyl-[2-[(3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxyethyl]azanium;fluoromethyl-methyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium (PubChem CID 163816978) has the molecular formula C100H152ClFN5O49+5 and a molecular weight of 2262.75 g/mol. Its IUPAC name is chloromethyl-dimethyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-[2-oxo-2-[(3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]-prop-2-ynylazanium;dimethyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-prop-2-ynyl-[2-[(3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxyethyl]azanium;fluoromethyl-methyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium.

Molecular Properties

Compound Namechloromethyl-dimethyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-[2-oxo-2-[(3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]-prop-2-ynylazanium;dimethyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-prop-2-ynyl-[2-[(3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxyethyl]azanium;fluoromethyl-methyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium
PubChem CID163816978
Molecular FormulaC100H152ClFN5O49+5
Molecular Weight2262.75 g/mol
Exact Mass2260.92
IUPAC Namechloromethyl-dimethyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-[2-oxo-2-[(3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]-prop-2-ynylazanium;dimethyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-prop-2-ynyl-[2-[(3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxyethyl]azanium;fluoromethyl-methyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium
SMILESC#CC[N+](C)(C)CC(=O)OC1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O.C#CC[N+](C)(C)CCOC1OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O.C#CC[N+](C)(C)CCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O.C#CC[N+](C)(CF)CCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](OCC[N+](C)(C)CCl)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C21H31FNO10.C21H30NO11.C21H32NO10.C19H31ClNO10.C18H28NO8/c1-7-8-23(6,12-22)9-10-28-21-20(32-16(5)27)19(31-15(4)26)18(30-14(3)25)17(33-21)11-29-13(2)24;1-8-9-22(6,7)10-17(27)33-21-20(31-15(5)26)19(30-14(4)25)18(29-13(3)24)16(32-21)11-28-12(2)23;1-8-9-22(6,7)10-11-27-21-20(31-16(5)26)19(30-15(4)25)18(29-14(3)24)17(32-21)12-28-13(2)23;1-11(22)27-9-15-16(28-12(2)23)17(29-13(3)24)18(30-14(4)25)19(31-15)26-8-7-21(5,6)10-20;1-7-8-19(5,6)9-10-23-18-17(27-14(4)22)16(26-13(3)21)15(11-24-18)25-12(2)20/h1,17-21H,8-12H2,2-6H3;1,16,18-21H,9-11H2,2-7H3;1,17-21H,9-12H2,2-7H3;15-19H,7-10H2,1-6H3;1,15-18H,8-11H2,2-6H3/q5*+1/t17-,18-,19+,20-,21-,23?;16-,18-,19+,20-,21?;17-,18-,19+,20-,21-;15-,16-,17+,18-,19-;15-,16+,17-,18?/m11111/s1
InChIKeyZRILEDJRYWUAFZ-FFLUMQFESA-N
XLogP-0.57
TPSA609.07 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds48
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002262.75
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze chloromethyl-dimethyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-[2-oxo-2-[(3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]-prop-2-ynylazanium;dimethyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-prop-2-ynyl-[2-[(3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxyethyl]azanium;fluoromethyl-methyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

chloromethyl-dimethyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;cyclopropyl-dimethyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;fluoromethyl-dimethyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;fluoromethyl-methyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium
CID 163572165
dimethyl-prop-2-ynyl-[2-[(3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium
CID 146629266
dimethyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]azanium
CID 146629433
acetic acid;dimethyl-[2-oxo-2-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]-prop-2-ynylazanium
CID 163530311
chloromethyl-dimethyl-[2-[(2S,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium
CID 146629317
dimethyl-[2-oxo-2-[(2S,3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxyethyl]-prop-2-ynylazanium
CID 162770862
dimethyl-[4-oxo-4-[(3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybutyl]-prop-2-ynylazanium
CID 146629276
dimethyl-prop-2-ynyl-[4-[(3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxybutyl]azanium
CID 146629498
2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl-dimethyl-prop-2-ynylazanium
CID 146629501
ethyl-dimethyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium
CID 163726542
[(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[[(2R,3R,4R,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate
CID 162998935
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2-chloroethoxy)oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methyl acetate
CID 138563532

Frequently Asked Questions

What is the IUPAC name of chloromethyl-dimethyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-[2-oxo-2-[(3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]-prop-2-ynylazanium;dimethyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-prop-2-ynyl-[2-[(3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxyethyl]azanium;fluoromethyl-methyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium?
The IUPAC name of chloromethyl-dimethyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-[2-oxo-2-[(3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]-prop-2-ynylazanium;dimethyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-prop-2-ynyl-[2-[(3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxyethyl]azanium;fluoromethyl-methyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium (CID 163816978) is chloromethyl-dimethyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-[2-oxo-2-[(3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]-prop-2-ynylazanium;dimethyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-prop-2-ynyl-[2-[(3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxyethyl]azanium;fluoromethyl-methyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium.
What is the SMILES notation for chloromethyl-dimethyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-[2-oxo-2-[(3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]-prop-2-ynylazanium;dimethyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-prop-2-ynyl-[2-[(3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxyethyl]azanium;fluoromethyl-methyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium?
The canonical SMILES for chloromethyl-dimethyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-[2-oxo-2-[(3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]-prop-2-ynylazanium;dimethyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-prop-2-ynyl-[2-[(3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxyethyl]azanium;fluoromethyl-methyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium is C#CC[N+](C)(C)CC(=O)OC1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O.C#CC[N+](C)(C)CCOC1OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O.C#CC[N+](C)(C)CCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O.C#CC[N+](C)(CF)CCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](OCC[N+](C)(C)CCl)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.
What is the InChIKey of chloromethyl-dimethyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-[2-oxo-2-[(3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]-prop-2-ynylazanium;dimethyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-prop-2-ynyl-[2-[(3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxyethyl]azanium;fluoromethyl-methyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium?
The InChIKey is ZRILEDJRYWUAFZ-FFLUMQFESA-N. The full InChI is InChI=1S/C21H31FNO10.C21H30NO11.C21H32NO10.C19H31ClNO10.C18H28NO8/c1-7-8-23(6,12-22)9-10-28-21-20(32-16(5)27)19(31-15(4)26)18(30-14(3)25)17(33-21)11-29-13(2)24;1-8-9-22(6,7)10-17(27)33-21-20(31-15(5)26)19(30-14(4)25)18(29-13(3)24)16(32-21)11-28-12(2)23;1-8-9-22(6,7)10-11-27-21-20(31-16(5)26)19(30-15(4)25)18(29-14(3)24)17(32-21)12-28-13(2)23;1-11(22)27-9-15-16(28-12(2)23)17(29-13(3)24)18(30-14(4)25)19(31-15)26-8-7-21(5,6)10-20;1-7-8-19(5,6)9-10-23-18-17(27-14(4)22)16(26-13(3)21)15(11-24-18)25-12(2)20/h1,17-21H,8-12H2,2-6H3;1,16,18-21H,9-11H2,2-7H3;1,17-21H,9-12H2,2-7H3;15-19H,7-10H2,1-6H3;1,15-18H,8-11H2,2-6H3/q5*+1/t17-,18-,19+,20-,21-,23?;16-,18-,19+,20-,21?;17-,18-,19+,20-,21-;15-,16-,17+,18-,19-;15-,16+,17-,18?/m11111/s1.
What are the key properties of chloromethyl-dimethyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-[2-oxo-2-[(3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]-prop-2-ynylazanium;dimethyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-prop-2-ynyl-[2-[(3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxyethyl]azanium;fluoromethyl-methyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium?
chloromethyl-dimethyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-[2-oxo-2-[(3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]-prop-2-ynylazanium;dimethyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-prop-2-ynyl-[2-[(3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxyethyl]azanium;fluoromethyl-methyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium has a molecular weight of 2262.75 g/mol, XLogP of -0.57, 48 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl-dimethyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-[2-oxo-2-[(3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]-prop-2-ynylazanium;dimethyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium;dimethyl-prop-2-ynyl-[2-[(3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxyethyl]azanium;fluoromethyl-methyl-prop-2-ynyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl]azanium is sourced from PubChem (CID 163816978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).