(7S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1,2-dihydroxy-6,7,8,11,14,14-hexamethyl-5-oxatricyclo[8.3.1.03,7]tetradec-10-en-4-one

C19H53O6P23 — CID 59965740

IUPAC(7S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1,2-dihydroxy-6,7,8,11,14,14-hexamethyl-5-oxatricyclo[8.3.1.03,7]tetradec-10-en-4-one
SMILESCC1=C2C(OP(P(P)P)P(PP)P(P)P)C(C)[C@]3(C)C(C)OC(=O)C3C(O)C(O)(CC1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C
InChIInChI=1S/C19H53O6P23/c1-8-11(24-40(46(37)42(29)30)48(44(33)34)45(35)36)7-19(22)15(20)13-16(21)23-10(3)18(13,6)9(2)14(12(8)17(19,4)5)25-39(41(27)28)47(38-26)43(31)32/h9-11,13-15,20,22,38H,7,26-37H2,1-6H3/t9?,10?,11?,13?,14?,15?,18-,19?,39?,40?,46?,47?/m1/s1
InChIKeyPLSJOSXRESAOTB-PKADBERMSA-N
MW1090.03 g/mol
LogP14.86
Rot. Bonds13

About (7S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1,2-dihydroxy-6,7,8,11,14,14-hexamethyl-5-oxatricyclo[8.3.1.03,7]tetradec-10-en-4-one

(7S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1,2-dihydroxy-6,7,8,11,14,14-hexamethyl-5-oxatricyclo[8.3.1.03,7]tetradec-10-en-4-one (PubChem CID 59965740) has the molecular formula C19H53O6P23 and a molecular weight of 1090.03 g/mol. Its IUPAC name is (7S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1,2-dihydroxy-6,7,8,11,14,14-hexamethyl-5-oxatricyclo[8.3.1.03,7]tetradec-10-en-4-one.

Molecular Properties

Compound Name(7S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1,2-dihydroxy-6,7,8,11,14,14-hexamethyl-5-oxatricyclo[8.3.1.03,7]tetradec-10-en-4-one
PubChem CID59965740
Molecular FormulaC19H53O6P23
Molecular Weight1090.03 g/mol
Exact Mass1089.78
IUPAC Name(7S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1,2-dihydroxy-6,7,8,11,14,14-hexamethyl-5-oxatricyclo[8.3.1.03,7]tetradec-10-en-4-one
SMILESCC1=C2C(OP(P(P)P)P(PP)P(P)P)C(C)[C@]3(C)C(C)OC(=O)C3C(O)C(O)(CC1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C
InChIInChI=1S/C19H53O6P23/c1-8-11(24-40(46(37)42(29)30)48(44(33)34)45(35)36)7-19(22)15(20)13-16(21)23-10(3)18(13,6)9(2)14(12(8)17(19,4)5)25-39(41(27)28)47(38-26)43(31)32/h9-11,13-15,20,22,38H,7,26-37H2,1-6H3/t9?,10?,11?,13?,14?,15?,18-,19?,39?,40?,46?,47?/m1/s1
InChIKeyPLSJOSXRESAOTB-PKADBERMSA-N
XLogP14.86
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001090.03
LogP ≤ 514.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (7S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1,2-dihydroxy-6,7,8,11,14,14-hexamethyl-5-oxatricyclo[8.3.1.03,7]tetradec-10-en-4-one with MolForge

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Related Compounds

(1S,2S,3R,6S,7S,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-but-3-enyl-1,2-dihydroxy-7,11,14,14-tetramethyl-5-oxatricyclo[8.3.1.03,7]tetradec-10-en-4-one
CID 59989754
(2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one
CID 59068260
9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one
CID 22967286
bis[bis(phosphanyl)phosphanyl]-[[(2R,3R,4R,9S)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-bis(phosphanyl)phosphanyloxy-4,10,11,11-tetramethyl-9-bicyclo[5.3.1]undeca-1(10),5-dienyl]oxy-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane
CID 91046262
(3S,6S,7R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-but-3-enyl-3-hydroxy-7,11,14,14-tetramethyl-5-oxatricyclo[8.3.1.03,7]tetradec-10-ene-2,4-dione
CID 59046631
(2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one;(2R,3R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-3-hex-1-en-2-yl-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-ene-2,3-diol;(2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-(5-hydroxypent-1-en-2-yl)-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one
CID 91188248
[(1S)-1-[(2R,4R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate
CID 59904687
[(8S)-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1,4,7-trihydroxy-5-methoxy-2,4,8,12,15,15-hexamethyl-9-oxo-13-tricyclo[9.3.1.03,8]pentadec-11-enyl] 2-(diphosphanyloxy)-3-(methylamino)butanoate
CID 146033104
[(2R,3R,4S,7R,9S,10S,12R,15S)-15-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-4-yl] acetate
CID 58607260
(3S,7S,8R,10R,13S)-13-[[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7-but-3-enyl-8,12,15,15-tetramethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione
CID 59904681
actinium;(2R,3R,4S,7R,9S,10S,12R,15S)-15-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-2-(diphosphanyloxy)-4,12-dihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-11-one
CID 59094321
[(1S,5S,6R,7S,10R,12S,13S,15R,18S)-18-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-12-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-15-hydroxy-13,17,20,20-tetramethyl-3-oxo-2,4,9-trioxapentacyclo[14.3.1.01,5.06,13.07,10]icos-16-en-7-yl] acetate
CID 59989732

Frequently Asked Questions

What is the IUPAC name of (7S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1,2-dihydroxy-6,7,8,11,14,14-hexamethyl-5-oxatricyclo[8.3.1.03,7]tetradec-10-en-4-one?
The IUPAC name of (7S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1,2-dihydroxy-6,7,8,11,14,14-hexamethyl-5-oxatricyclo[8.3.1.03,7]tetradec-10-en-4-one (CID 59965740) is (7S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1,2-dihydroxy-6,7,8,11,14,14-hexamethyl-5-oxatricyclo[8.3.1.03,7]tetradec-10-en-4-one.
What is the SMILES notation for (7S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1,2-dihydroxy-6,7,8,11,14,14-hexamethyl-5-oxatricyclo[8.3.1.03,7]tetradec-10-en-4-one?
The canonical SMILES for (7S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1,2-dihydroxy-6,7,8,11,14,14-hexamethyl-5-oxatricyclo[8.3.1.03,7]tetradec-10-en-4-one is CC1=C2C(OP(P(P)P)P(PP)P(P)P)C(C)[C@]3(C)C(C)OC(=O)C3C(O)C(O)(CC1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C.
What is the InChIKey of (7S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1,2-dihydroxy-6,7,8,11,14,14-hexamethyl-5-oxatricyclo[8.3.1.03,7]tetradec-10-en-4-one?
The InChIKey is PLSJOSXRESAOTB-PKADBERMSA-N. The full InChI is InChI=1S/C19H53O6P23/c1-8-11(24-40(46(37)42(29)30)48(44(33)34)45(35)36)7-19(22)15(20)13-16(21)23-10(3)18(13,6)9(2)14(12(8)17(19,4)5)25-39(41(27)28)47(38-26)43(31)32/h9-11,13-15,20,22,38H,7,26-37H2,1-6H3/t9?,10?,11?,13?,14?,15?,18-,19?,39?,40?,46?,47?/m1/s1.
What are the key properties of (7S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1,2-dihydroxy-6,7,8,11,14,14-hexamethyl-5-oxatricyclo[8.3.1.03,7]tetradec-10-en-4-one?
(7S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1,2-dihydroxy-6,7,8,11,14,14-hexamethyl-5-oxatricyclo[8.3.1.03,7]tetradec-10-en-4-one has a molecular weight of 1090.03 g/mol, XLogP of 14.86, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1,2-dihydroxy-6,7,8,11,14,14-hexamethyl-5-oxatricyclo[8.3.1.03,7]tetradec-10-en-4-one is sourced from PubChem (CID 59965740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).