[(4R,6E,10E,12Z)-15-chloro-4,10-dimethyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(4R,6E,10E,12Z)-15-chloro-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-10-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate

C100H132Cl4N8O48P8 — CID 172958378

IUPAC[(4R,6E,10E,12Z)-15-chloro-4,10-dimethyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(4R,6E,10E,12Z)-15-chloro-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-10-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate
SMILESC/C1=C\C(=N/OCC(=O)N2CCCCC2)Cc2c(Cl)c(OP(=O)(O)O)cc(OP(=O)(O)O)c2C(=O)OCC/C=C/CC1.C/C1=C\C(=N/OCC(=O)N2CCCCC2)Cc2c(Cl)c(OP(=O)(O)O)cc(OP(=O)(O)O)c2C(=O)O[C@H](C)C/C=C/CC1.C[C@@H]1C/C=C/CC/C=C/C(=N\OCC(=O)N2CCCCC2)Cc2c(Cl)c(OP(=O)(O)O)cc(OP(=O)(O)O)c2C(=O)O1.O=C1OCC/C=C/CC/C=C/C(=N\OCC(=O)N2CCCCC2)Cc2c(Cl)c(OP(=O)(O)O)cc(OP(=O)(O)O)c21
InChIInChI=1S/C26H35ClN2O12P2.2C25H33ClN2O12P2.C24H31ClN2O12P2/c1-17-9-5-3-6-10-18(2)39-26(31)24-20(14-19(13-17)28-38-16-23(30)29-11-7-4-8-12-29)25(27)22(41-43(35,36)37)15-21(24)40-42(32,33)34;1-17-9-5-2-3-8-12-37-25(30)23-19(14-18(13-17)27-38-16-22(29)28-10-6-4-7-11-28)24(26)21(40-42(34,35)36)15-20(23)39-41(31,32)33;1-17-10-6-3-2-4-7-11-18(27-37-16-22(29)28-12-8-5-9-13-28)14-19-23(25(30)38-17)20(39-41(31,32)33)15-21(24(19)26)40-42(34,35)36;25-23-18-14-17(26-37-16-21(28)27-11-7-5-8-12-27)10-6-3-1-2-4-9-13-36-24(29)22(18)19(38-40(30,31)32)15-20(23)39-41(33,34)35/h3,6,13,15,18H,4-5,7-12,14,16H2,1-2H3,(H2,32,33,34)(H2,35,36,37);2-3,13,15H,4-12,14,16H2,1H3,(H2,31,32,33)(H2,34,35,36);3,6-7,11,15,17H,2,4-5,8-10,12-14,16H2,1H3,(H2,31,32,33)(H2,34,35,36);2,4,6,10,15H,1,3,5,7-9,11-14,16H2,(H2,30,31,32)(H2,33,34,35)/b6-3+,17-13+,28-19+;3-2+,17-13+,27-18+;6-3+,11-7+,27-18+;4-2+,10-6+,26-17+/t18-;;17-;/m1.1./s1
InChIKeyLFAYPWBSSVRVPN-GDYAYIISSA-N
MW2603.77 g/mol
LogP16.21
Rot. Bonds28

About [(4R,6E,10E,12Z)-15-chloro-4,10-dimethyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(4R,6E,10E,12Z)-15-chloro-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-10-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate

[(4R,6E,10E,12Z)-15-chloro-4,10-dimethyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(4R,6E,10E,12Z)-15-chloro-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-10-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate (PubChem CID 172958378) has the molecular formula C100H132Cl4N8O48P8 and a molecular weight of 2603.77 g/mol. Its IUPAC name is [(4R,6E,10E,12Z)-15-chloro-4,10-dimethyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(4R,6E,10E,12Z)-15-chloro-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-10-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate.

Molecular Properties

Compound Name[(4R,6E,10E,12Z)-15-chloro-4,10-dimethyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(4R,6E,10E,12Z)-15-chloro-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-10-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate
PubChem CID172958378
Molecular FormulaC100H132Cl4N8O48P8
Molecular Weight2603.77 g/mol
Exact Mass2600.48
IUPAC Name[(4R,6E,10E,12Z)-15-chloro-4,10-dimethyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(4R,6E,10E,12Z)-15-chloro-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-10-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate
SMILESC/C1=C\C(=N/OCC(=O)N2CCCCC2)Cc2c(Cl)c(OP(=O)(O)O)cc(OP(=O)(O)O)c2C(=O)OCC/C=C/CC1.C/C1=C\C(=N/OCC(=O)N2CCCCC2)Cc2c(Cl)c(OP(=O)(O)O)cc(OP(=O)(O)O)c2C(=O)O[C@H](C)C/C=C/CC1.C[C@@H]1C/C=C/CC/C=C/C(=N\OCC(=O)N2CCCCC2)Cc2c(Cl)c(OP(=O)(O)O)cc(OP(=O)(O)O)c2C(=O)O1.O=C1OCC/C=C/CC/C=C/C(=N\OCC(=O)N2CCCCC2)Cc2c(Cl)c(OP(=O)(O)O)cc(OP(=O)(O)O)c21
InChIInChI=1S/C26H35ClN2O12P2.2C25H33ClN2O12P2.C24H31ClN2O12P2/c1-17-9-5-3-6-10-18(2)39-26(31)24-20(14-19(13-17)28-38-16-23(30)29-11-7-4-8-12-29)25(27)22(41-43(35,36)37)15-21(24)40-42(32,33)34;1-17-9-5-2-3-8-12-37-25(30)23-19(14-18(13-17)27-38-16-22(29)28-10-6-4-7-11-28)24(26)21(40-42(34,35)36)15-20(23)39-41(31,32)33;1-17-10-6-3-2-4-7-11-18(27-37-16-22(29)28-12-8-5-9-13-28)14-19-23(25(30)38-17)20(39-41(31,32)33)15-21(24(19)26)40-42(34,35)36;25-23-18-14-17(26-37-16-21(28)27-11-7-5-8-12-27)10-6-3-1-2-4-9-13-36-24(29)22(18)19(38-40(30,31)32)15-20(23)39-41(33,34)35/h3,6,13,15,18H,4-5,7-12,14,16H2,1-2H3,(H2,32,33,34)(H2,35,36,37);2-3,13,15H,4-12,14,16H2,1H3,(H2,31,32,33)(H2,34,35,36);3,6-7,11,15,17H,2,4-5,8-10,12-14,16H2,1H3,(H2,31,32,33)(H2,34,35,36);2,4,6,10,15H,1,3,5,7-9,11-14,16H2,(H2,30,31,32)(H2,33,34,35)/b6-3+,17-13+,28-19+;3-2+,17-13+,27-18+;6-3+,11-7+,27-18+;4-2+,10-6+,26-17+/t18-;;17-;/m1.1./s1
InChIKeyLFAYPWBSSVRVPN-GDYAYIISSA-N
XLogP16.21
TPSA806.88 Ų
H-Bond Donors16
H-Bond Acceptors36
Rotatable Bonds28
Heavy Atoms168
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002603.77
LogP ≤ 516.21
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(4R,6E,10E,12Z)-15-chloro-4,10-dimethyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(4R,6E,10E,12Z)-15-chloro-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-10-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(4R,6E,10E,12Z)-15-chloro-4,10-dimethyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(4R,6E,10E,12Z)-15-chloro-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-10-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate?
The IUPAC name of [(4R,6E,10E,12Z)-15-chloro-4,10-dimethyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(4R,6E,10E,12Z)-15-chloro-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-10-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate (CID 172958378) is [(4R,6E,10E,12Z)-15-chloro-4,10-dimethyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(4R,6E,10E,12Z)-15-chloro-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-10-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate.
What is the SMILES notation for [(4R,6E,10E,12Z)-15-chloro-4,10-dimethyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(4R,6E,10E,12Z)-15-chloro-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-10-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate?
The canonical SMILES for [(4R,6E,10E,12Z)-15-chloro-4,10-dimethyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(4R,6E,10E,12Z)-15-chloro-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-10-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate is C/C1=C\C(=N/OCC(=O)N2CCCCC2)Cc2c(Cl)c(OP(=O)(O)O)cc(OP(=O)(O)O)c2C(=O)OCC/C=C/CC1.C/C1=C\C(=N/OCC(=O)N2CCCCC2)Cc2c(Cl)c(OP(=O)(O)O)cc(OP(=O)(O)O)c2C(=O)O[C@H](C)C/C=C/CC1.C[C@@H]1C/C=C/CC/C=C/C(=N\OCC(=O)N2CCCCC2)Cc2c(Cl)c(OP(=O)(O)O)cc(OP(=O)(O)O)c2C(=O)O1.O=C1OCC/C=C/CC/C=C/C(=N\OCC(=O)N2CCCCC2)Cc2c(Cl)c(OP(=O)(O)O)cc(OP(=O)(O)O)c21.
What is the InChIKey of [(4R,6E,10E,12Z)-15-chloro-4,10-dimethyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(4R,6E,10E,12Z)-15-chloro-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-10-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate?
The InChIKey is LFAYPWBSSVRVPN-GDYAYIISSA-N. The full InChI is InChI=1S/C26H35ClN2O12P2.2C25H33ClN2O12P2.C24H31ClN2O12P2/c1-17-9-5-3-6-10-18(2)39-26(31)24-20(14-19(13-17)28-38-16-23(30)29-11-7-4-8-12-29)25(27)22(41-43(35,36)37)15-21(24)40-42(32,33)34;1-17-9-5-2-3-8-12-37-25(30)23-19(14-18(13-17)27-38-16-22(29)28-10-6-4-7-11-28)24(26)21(40-42(34,35)36)15-20(23)39-41(31,32)33;1-17-10-6-3-2-4-7-11-18(27-37-16-22(29)28-12-8-5-9-13-28)14-19-23(25(30)38-17)20(39-41(31,32)33)15-21(24(19)26)40-42(34,35)36;25-23-18-14-17(26-37-16-21(28)27-11-7-5-8-12-27)10-6-3-1-2-4-9-13-36-24(29)22(18)19(38-40(30,31)32)15-20(23)39-41(33,34)35/h3,6,13,15,18H,4-5,7-12,14,16H2,1-2H3,(H2,32,33,34)(H2,35,36,37);2-3,13,15H,4-12,14,16H2,1H3,(H2,31,32,33)(H2,34,35,36);3,6-7,11,15,17H,2,4-5,8-10,12-14,16H2,1H3,(H2,31,32,33)(H2,34,35,36);2,4,6,10,15H,1,3,5,7-9,11-14,16H2,(H2,30,31,32)(H2,33,34,35)/b6-3+,17-13+,28-19+;3-2+,17-13+,27-18+;6-3+,11-7+,27-18+;4-2+,10-6+,26-17+/t18-;;17-;/m1.1./s1.
What are the key properties of [(4R,6E,10E,12Z)-15-chloro-4,10-dimethyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(4R,6E,10E,12Z)-15-chloro-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-10-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate?
[(4R,6E,10E,12Z)-15-chloro-4,10-dimethyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(4R,6E,10E,12Z)-15-chloro-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-10-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate has a molecular weight of 2603.77 g/mol, XLogP of 16.21, 28 rotatable bonds, 16 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6E,10E,12Z)-15-chloro-4,10-dimethyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(4R,6E,10E,12Z)-15-chloro-4-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-10-methyl-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate;[(6E,10E,12Z)-15-chloro-2-oxo-12-(2-oxo-2-piperidin-1-ylethoxy)imino-16-phosphonooxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-18-yl] dihydrogen phosphate is sourced from PubChem (CID 172958378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).