(2R,6R,9R,12R,16S,17E)-9-azido-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;tert-butyl-[[(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-yl]oxy]-dimethylsilane;(2R,6R,9R,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-amine;(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol

C102H162F4N4O10Si — CID 158024078

IUPAC(2R,6R,9R,12R,16S,17E)-9-azido-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;tert-butyl-[[(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-yl]oxy]-dimethylsilane;(2R,6R,9R,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-amine;(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol
SMILESC/C(F)=C1/CCC2C3C(CC[C@]12C)[C@@]1(C)CC[C@@H](N)CC1[C@H]1OC(C)(C)O[C@H]31.C/C(F)=C1/CCC2C3C(CC[C@]12C)[C@@]1(C)CC[C@@H](N=[N+]=[N-])CC1[C@H]1OC(C)(C)O[C@H]31.C/C(F)=C1/CCC2C3C(CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1[C@H]1OC(C)(C)O[C@H]31.C/C(F)=C1/CCC2C3C(CC[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C(C)(C)C)CC1[C@H]1OC(C)(C)O[C@H]31
InChIInChI=1S/C30H51FO3Si.C24H36FN3O2.C24H38FNO2.C24H37FO3/c1-18(31)20-11-12-21-24-22(14-16-29(20,21)7)30(8)15-13-19(34-35(9,10)27(2,3)4)17-23(30)25-26(24)33-28(5,6)32-25;1-13(25)15-6-7-16-19-17(9-11-23(15,16)4)24(5)10-8-14(27-28-26)12-18(24)20-21(19)30-22(2,3)29-20;2*1-13(25)15-6-7-16-19-17(9-11-23(15,16)4)24(5)10-8-14(26)12-18(24)20-21(19)28-22(2,3)27-20/h19,21-26H,11-17H2,1-10H3;14,16-21H,6-12H2,1-5H3;14,16-21H,6-12,26H2,1-5H3;14,16-21,26H,6-12H2,1-5H3/b20-18+;3*15-13+/t19-,21?,22?,23?,24?,25+,26+,29+,30+;2*14-,16?,17?,18?,19?,20-,21-,23-,24-;14-,16?,17?,18?,19?,20+,21+,23+,24+/m0110/s1
InChIKeyFGKDIDOHMVDKII-LHSXPVKQSA-N
MW1708.51 g/mol
LogP25.81
Rot. Bonds3

About (2R,6R,9R,12R,16S,17E)-9-azido-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;tert-butyl-[[(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-yl]oxy]-dimethylsilane;(2R,6R,9R,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-amine;(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol

(2R,6R,9R,12R,16S,17E)-9-azido-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;tert-butyl-[[(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-yl]oxy]-dimethylsilane;(2R,6R,9R,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-amine;(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol (PubChem CID 158024078) has the molecular formula C102H162F4N4O10Si and a molecular weight of 1708.51 g/mol. Its IUPAC name is (2R,6R,9R,12R,16S,17E)-9-azido-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;tert-butyl-[[(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-yl]oxy]-dimethylsilane;(2R,6R,9R,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-amine;(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol.

Molecular Properties

Compound Name(2R,6R,9R,12R,16S,17E)-9-azido-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;tert-butyl-[[(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-yl]oxy]-dimethylsilane;(2R,6R,9R,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-amine;(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol
PubChem CID158024078
Molecular FormulaC102H162F4N4O10Si
Molecular Weight1708.51 g/mol
Exact Mass1707.20
IUPAC Name(2R,6R,9R,12R,16S,17E)-9-azido-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;tert-butyl-[[(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-yl]oxy]-dimethylsilane;(2R,6R,9R,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-amine;(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol
SMILESC/C(F)=C1/CCC2C3C(CC[C@]12C)[C@@]1(C)CC[C@@H](N)CC1[C@H]1OC(C)(C)O[C@H]31.C/C(F)=C1/CCC2C3C(CC[C@]12C)[C@@]1(C)CC[C@@H](N=[N+]=[N-])CC1[C@H]1OC(C)(C)O[C@H]31.C/C(F)=C1/CCC2C3C(CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1[C@H]1OC(C)(C)O[C@H]31.C/C(F)=C1/CCC2C3C(CC[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C(C)(C)C)CC1[C@H]1OC(C)(C)O[C@H]31
InChIInChI=1S/C30H51FO3Si.C24H36FN3O2.C24H38FNO2.C24H37FO3/c1-18(31)20-11-12-21-24-22(14-16-29(20,21)7)30(8)15-13-19(34-35(9,10)27(2,3)4)17-23(30)25-26(24)33-28(5,6)32-25;1-13(25)15-6-7-16-19-17(9-11-23(15,16)4)24(5)10-8-14(27-28-26)12-18(24)20-21(19)30-22(2,3)29-20;2*1-13(25)15-6-7-16-19-17(9-11-23(15,16)4)24(5)10-8-14(26)12-18(24)20-21(19)28-22(2,3)27-20/h19,21-26H,11-17H2,1-10H3;14,16-21H,6-12H2,1-5H3;14,16-21H,6-12,26H2,1-5H3;14,16-21,26H,6-12H2,1-5H3/b20-18+;3*15-13+/t19-,21?,22?,23?,24?,25+,26+,29+,30+;2*14-,16?,17?,18?,19?,20-,21-,23-,24-;14-,16?,17?,18?,19?,20+,21+,23+,24+/m0110/s1
InChIKeyFGKDIDOHMVDKII-LHSXPVKQSA-N
XLogP25.81
TPSA178.08 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001708.51
LogP ≤ 525.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (2R,6R,9R,12R,16S,17E)-9-azido-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;tert-butyl-[[(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-yl]oxy]-dimethylsilane;(2R,6R,9R,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-amine;(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol with MolForge

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Related Compounds

(2R,6R,9S,12R,16S,17Z)-9-azido-17-ethylidene-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;(2R,6R,9R,12R,16S,17Z)-17-ethylidene-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol;(2R,6R,9S,12R,16S,17Z)-17-ethylidene-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol;[(2R,6R,9R,12R,16S,17Z)-17-ethylidene-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-yl] acetate;[(2R,6R,9S,12R,16S,17Z)-17-ethylidene-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-yl] methanesulfonate
CID 160959719
1-[(2R,6R,9S,12R,16S,17S)-9-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-yl]ethanone;tert-butyl-[[(2R,6R,9S,12R,16S,17Z)-17-ethylidene-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-yl]oxy]-dimethylsilane;(2R,6R,9S,12R,16S,17Z)-17-ethylidene-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol;(2R,6R,9S,12R,16S,17S)-17-(1-hydroxyethyl)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol
CID 161341954
(6R)-4,4,12,16-tetramethyl-17-methylidene-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol
CID 129044813
methyl (2E)-2-[(2R,6R,9S,12R,16S)-9-hydroxy-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ylidene]acetate
CID 58700679
(12R,16S)-9,17-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,11,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-11-ol
CID 54266103
[(1R,2R,6R,7S,9R,12R,13S,16S,17E,20S)-17-ethylidene-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-yl] acetate
CID 11144198
(2S,6R,9S,12S,16S,17E)-17-(1-fluoroethylidene)-4,4,9,12,16-pentamethyl-3-oxapentacyclo[11.7.0.02,6.07,12.016,20]icosane
CID 71216016
acetic acid;(3S,6R,7R,10R,13S)-3-amino-10,13-dimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-6,7-diol;(3S,6R,7R,10R)-3-amino-10,17,17-trimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-6,7-diol;(2R,6R,9S,12R,16S)-4,4,12,16-tetramethyl-17-methylidene-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-amine;hydrochloride
CID 161132706
(10R,13S)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-6,7-diol
CID 54453194
[(3aS,4R,5R,6R,6aS)-6-azido-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]oxy-tert-butyl-dimethylsilane
CID 10813158
tert-butyl-[(5R)-3,5-diazidocyclohexyl]oxy-dimethylsilane;cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diamine;methane;methanol
CID 158415129
(2R,6R,9S,16S,17S)-9-[tert-butyl(dimethyl)silyl]oxy-4,4,16-trimethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol
CID 91426759

Frequently Asked Questions

What is the IUPAC name of (2R,6R,9R,12R,16S,17E)-9-azido-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;tert-butyl-[[(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-yl]oxy]-dimethylsilane;(2R,6R,9R,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-amine;(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol?
The IUPAC name of (2R,6R,9R,12R,16S,17E)-9-azido-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;tert-butyl-[[(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-yl]oxy]-dimethylsilane;(2R,6R,9R,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-amine;(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol (CID 158024078) is (2R,6R,9R,12R,16S,17E)-9-azido-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;tert-butyl-[[(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-yl]oxy]-dimethylsilane;(2R,6R,9R,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-amine;(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol.
What is the SMILES notation for (2R,6R,9R,12R,16S,17E)-9-azido-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;tert-butyl-[[(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-yl]oxy]-dimethylsilane;(2R,6R,9R,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-amine;(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol?
The canonical SMILES for (2R,6R,9R,12R,16S,17E)-9-azido-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;tert-butyl-[[(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-yl]oxy]-dimethylsilane;(2R,6R,9R,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-amine;(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol is C/C(F)=C1/CCC2C3C(CC[C@]12C)[C@@]1(C)CC[C@@H](N)CC1[C@H]1OC(C)(C)O[C@H]31.C/C(F)=C1/CCC2C3C(CC[C@]12C)[C@@]1(C)CC[C@@H](N=[N+]=[N-])CC1[C@H]1OC(C)(C)O[C@H]31.C/C(F)=C1/CCC2C3C(CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1[C@H]1OC(C)(C)O[C@H]31.C/C(F)=C1/CCC2C3C(CC[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C(C)(C)C)CC1[C@H]1OC(C)(C)O[C@H]31.
What is the InChIKey of (2R,6R,9R,12R,16S,17E)-9-azido-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;tert-butyl-[[(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-yl]oxy]-dimethylsilane;(2R,6R,9R,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-amine;(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol?
The InChIKey is FGKDIDOHMVDKII-LHSXPVKQSA-N. The full InChI is InChI=1S/C30H51FO3Si.C24H36FN3O2.C24H38FNO2.C24H37FO3/c1-18(31)20-11-12-21-24-22(14-16-29(20,21)7)30(8)15-13-19(34-35(9,10)27(2,3)4)17-23(30)25-26(24)33-28(5,6)32-25;1-13(25)15-6-7-16-19-17(9-11-23(15,16)4)24(5)10-8-14(27-28-26)12-18(24)20-21(19)30-22(2,3)29-20;2*1-13(25)15-6-7-16-19-17(9-11-23(15,16)4)24(5)10-8-14(26)12-18(24)20-21(19)28-22(2,3)27-20/h19,21-26H,11-17H2,1-10H3;14,16-21H,6-12H2,1-5H3;14,16-21H,6-12,26H2,1-5H3;14,16-21,26H,6-12H2,1-5H3/b20-18+;3*15-13+/t19-,21?,22?,23?,24?,25+,26+,29+,30+;2*14-,16?,17?,18?,19?,20-,21-,23-,24-;14-,16?,17?,18?,19?,20+,21+,23+,24+/m0110/s1.
What are the key properties of (2R,6R,9R,12R,16S,17E)-9-azido-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;tert-butyl-[[(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-yl]oxy]-dimethylsilane;(2R,6R,9R,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-amine;(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol?
(2R,6R,9R,12R,16S,17E)-9-azido-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;tert-butyl-[[(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-yl]oxy]-dimethylsilane;(2R,6R,9R,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-amine;(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol has a molecular weight of 1708.51 g/mol, XLogP of 25.81, 3 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R,9R,12R,16S,17E)-9-azido-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;tert-butyl-[[(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-yl]oxy]-dimethylsilane;(2R,6R,9R,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-amine;(2R,6R,9S,12R,16S,17E)-17-(1-fluoroethylidene)-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol is sourced from PubChem (CID 158024078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).