[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[bis(4-methoxyphenyl)-phenylmethoxy]pentoxy]-5-methyloxan-2-yl]methyl benzoate

C284H331N6O65P3 — CID 167684645

IUPAC[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[bis(4-methoxyphenyl)-phenylmethoxy]pentoxy]-5-methyloxan-2-yl]methyl benzoate
SMILESCOc1ccc(C(OCC2OC(OC3C(C)C(OC4C(C)C(OCCCCCOP(OCCC#N)N(C(C)C)C(C)C)OC(COC(=O)c5ccccc5)C4OC(=O)c4ccccc4)OC(COC(=O)c4ccccc4)C3OC(=O)c3ccccc3)C(C)C(C)C2OC(=O)c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OCCCCCOC2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C(OC3OC(COC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C(OC4OC(COCCCCOP(OCCC#N)N(C(C)C)C(C)C)C(OC(=O)c5ccccc5)C(C)C4C)C3C)C2C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OCCCCOCC2OC(OC3C(C)C(OC4C(C)C(OCCCCCOP(OCCC#N)N(C(C)C)C(C)C)OC(COC(=O)c5ccccc5)C4OC(=O)c4ccccc4)OC(COC(=O)c4ccccc4)C3OC(=O)c3ccccc3)C(C)C(C)C2OC(=O)c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/2C96H113N2O22P.C92H105N2O21P/c1-64(2)98(65(3)4)121(112-60-34-55-97)111-59-31-17-30-57-107-93-68(7)84(86(117-91(102)73-41-24-14-25-42-73)81(113-93)62-108-88(99)70-35-18-11-19-36-70)120-95-69(8)85(87(118-92(103)74-43-26-15-27-44-74)82(115-95)63-109-89(100)71-37-20-12-21-38-71)119-94-67(6)66(5)83(116-90(101)72-39-22-13-23-40-72)80(114-94)61-106-56-32-33-58-110-96(75-45-28-16-29-46-75,76-47-51-78(104-9)52-48-76)77-49-53-79(105-10)54-50-77;1-64(2)98(65(3)4)121(112-60-34-55-97)111-59-33-32-56-106-61-80-83(116-90(101)72-39-22-13-23-40-72)66(5)67(6)94(114-80)119-85-69(8)95(115-82(63-109-89(100)71-37-20-12-21-38-71)87(85)118-92(103)74-43-26-15-27-44-74)120-84-68(7)93(113-81(62-108-88(99)70-35-18-11-19-36-70)86(84)117-91(102)73-41-24-14-25-42-73)107-57-30-17-31-58-110-96(75-45-28-16-29-46-75,76-47-51-78(104-9)52-48-76)77-49-53-79(105-10)54-50-77;1-60(2)94(61(3)4)116(107-56-32-53-93)106-55-31-17-30-54-102-89-64(7)80(82(112-87(98)69-39-24-14-25-40-69)76(108-89)57-103-84(95)66-33-18-11-19-34-66)115-91-65(8)81(83(113-88(99)70-41-26-15-27-42-70)77(109-91)58-104-85(96)67-35-20-12-21-36-67)114-90-63(6)62(5)79(111-86(97)68-37-22-13-23-38-68)78(110-90)59-105-92(71-43-28-16-29-44-71,72-45-49-74(100-9)50-46-72)73-47-51-75(101-10)52-48-73/h2*11-16,18-29,35-54,64-69,80-87,93-95H,17,30-34,56-63H2,1-10H3;11-16,18-29,33-52,60-65,76-83,89-91H,17,30-32,54-59H2,1-10H3
InChIKeyWAQLKUFVGOUEKI-UHFFFAOYSA-N
MW4961.67 g/mol
LogP50.71
Rot. Bonds124

About [3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[bis(4-methoxyphenyl)-phenylmethoxy]pentoxy]-5-methyloxan-2-yl]methyl benzoate

[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[bis(4-methoxyphenyl)-phenylmethoxy]pentoxy]-5-methyloxan-2-yl]methyl benzoate (PubChem CID 167684645) has the molecular formula C284H331N6O65P3 and a molecular weight of 4961.67 g/mol. Its IUPAC name is [3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[bis(4-methoxyphenyl)-phenylmethoxy]pentoxy]-5-methyloxan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[bis(4-methoxyphenyl)-phenylmethoxy]pentoxy]-5-methyloxan-2-yl]methyl benzoate
PubChem CID167684645
Molecular FormulaC284H331N6O65P3
Molecular Weight4961.67 g/mol
Exact Mass4958.20
IUPAC Name[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[bis(4-methoxyphenyl)-phenylmethoxy]pentoxy]-5-methyloxan-2-yl]methyl benzoate
SMILESCOc1ccc(C(OCC2OC(OC3C(C)C(OC4C(C)C(OCCCCCOP(OCCC#N)N(C(C)C)C(C)C)OC(COC(=O)c5ccccc5)C4OC(=O)c4ccccc4)OC(COC(=O)c4ccccc4)C3OC(=O)c3ccccc3)C(C)C(C)C2OC(=O)c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OCCCCCOC2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C(OC3OC(COC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C(OC4OC(COCCCCOP(OCCC#N)N(C(C)C)C(C)C)C(OC(=O)c5ccccc5)C(C)C4C)C3C)C2C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OCCCCOCC2OC(OC3C(C)C(OC4C(C)C(OCCCCCOP(OCCC#N)N(C(C)C)C(C)C)OC(COC(=O)c5ccccc5)C4OC(=O)c4ccccc4)OC(COC(=O)c4ccccc4)C3OC(=O)c3ccccc3)C(C)C(C)C2OC(=O)c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/2C96H113N2O22P.C92H105N2O21P/c1-64(2)98(65(3)4)121(112-60-34-55-97)111-59-31-17-30-57-107-93-68(7)84(86(117-91(102)73-41-24-14-25-42-73)81(113-93)62-108-88(99)70-35-18-11-19-36-70)120-95-69(8)85(87(118-92(103)74-43-26-15-27-44-74)82(115-95)63-109-89(100)71-37-20-12-21-38-71)119-94-67(6)66(5)83(116-90(101)72-39-22-13-23-40-72)80(114-94)61-106-56-32-33-58-110-96(75-45-28-16-29-46-75,76-47-51-78(104-9)52-48-76)77-49-53-79(105-10)54-50-77;1-64(2)98(65(3)4)121(112-60-34-55-97)111-59-33-32-56-106-61-80-83(116-90(101)72-39-22-13-23-40-72)66(5)67(6)94(114-80)119-85-69(8)95(115-82(63-109-89(100)71-37-20-12-21-38-71)87(85)118-92(103)74-43-26-15-27-44-74)120-84-68(7)93(113-81(62-108-88(99)70-35-18-11-19-36-70)86(84)117-91(102)73-41-24-14-25-42-73)107-57-30-17-31-58-110-96(75-45-28-16-29-46-75,76-47-51-78(104-9)52-48-76)77-49-53-79(105-10)54-50-77;1-60(2)94(61(3)4)116(107-56-32-53-93)106-55-31-17-30-54-102-89-64(7)80(82(112-87(98)69-39-24-14-25-40-69)76(108-89)57-103-84(95)66-33-18-11-19-34-66)115-91-65(8)81(83(113-88(99)70-41-26-15-27-42-70)77(109-91)58-104-85(96)67-35-20-12-21-36-67)114-90-63(6)62(5)79(111-86(97)68-37-22-13-23-38-68)78(110-90)59-105-92(71-43-28-16-29-44-71,72-45-49-74(100-9)50-46-72)73-47-51-75(101-10)52-48-73/h2*11-16,18-29,35-54,64-69,80-87,93-95H,17,30-34,56-63H2,1-10H3;11-16,18-29,33-52,60-65,76-83,89-91H,17,30-32,54-59H2,1-10H3
InChIKeyWAQLKUFVGOUEKI-UHFFFAOYSA-N
XLogP50.71
TPSA798.64 Ų
H-Bond Donors
H-Bond Acceptors71
Rotatable Bonds124
Heavy Atoms358
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004961.67
LogP ≤ 550.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1071

Analyze [3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[bis(4-methoxyphenyl)-phenylmethoxy]pentoxy]-5-methyloxan-2-yl]methyl benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[bis(4-methoxyphenyl)-phenylmethoxy]pentoxy]-5-methyloxan-2-yl]methyl benzoate?
The IUPAC name of [3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[bis(4-methoxyphenyl)-phenylmethoxy]pentoxy]-5-methyloxan-2-yl]methyl benzoate (CID 167684645) is [3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[bis(4-methoxyphenyl)-phenylmethoxy]pentoxy]-5-methyloxan-2-yl]methyl benzoate.
What is the SMILES notation for [3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[bis(4-methoxyphenyl)-phenylmethoxy]pentoxy]-5-methyloxan-2-yl]methyl benzoate?
The canonical SMILES for [3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[bis(4-methoxyphenyl)-phenylmethoxy]pentoxy]-5-methyloxan-2-yl]methyl benzoate is COc1ccc(C(OCC2OC(OC3C(C)C(OC4C(C)C(OCCCCCOP(OCCC#N)N(C(C)C)C(C)C)OC(COC(=O)c5ccccc5)C4OC(=O)c4ccccc4)OC(COC(=O)c4ccccc4)C3OC(=O)c3ccccc3)C(C)C(C)C2OC(=O)c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OCCCCCOC2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C(OC3OC(COC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C(OC4OC(COCCCCOP(OCCC#N)N(C(C)C)C(C)C)C(OC(=O)c5ccccc5)C(C)C4C)C3C)C2C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OCCCCOCC2OC(OC3C(C)C(OC4C(C)C(OCCCCCOP(OCCC#N)N(C(C)C)C(C)C)OC(COC(=O)c5ccccc5)C4OC(=O)c4ccccc4)OC(COC(=O)c4ccccc4)C3OC(=O)c3ccccc3)C(C)C(C)C2OC(=O)c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of [3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[bis(4-methoxyphenyl)-phenylmethoxy]pentoxy]-5-methyloxan-2-yl]methyl benzoate?
The InChIKey is WAQLKUFVGOUEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C96H113N2O22P.C92H105N2O21P/c1-64(2)98(65(3)4)121(112-60-34-55-97)111-59-31-17-30-57-107-93-68(7)84(86(117-91(102)73-41-24-14-25-42-73)81(113-93)62-108-88(99)70-35-18-11-19-36-70)120-95-69(8)85(87(118-92(103)74-43-26-15-27-44-74)82(115-95)63-109-89(100)71-37-20-12-21-38-71)119-94-67(6)66(5)83(116-90(101)72-39-22-13-23-40-72)80(114-94)61-106-56-32-33-58-110-96(75-45-28-16-29-46-75,76-47-51-78(104-9)52-48-76)77-49-53-79(105-10)54-50-77;1-64(2)98(65(3)4)121(112-60-34-55-97)111-59-33-32-56-106-61-80-83(116-90(101)72-39-22-13-23-40-72)66(5)67(6)94(114-80)119-85-69(8)95(115-82(63-109-89(100)71-37-20-12-21-38-71)87(85)118-92(103)74-43-26-15-27-44-74)120-84-68(7)93(113-81(62-108-88(99)70-35-18-11-19-36-70)86(84)117-91(102)73-41-24-14-25-42-73)107-57-30-17-31-58-110-96(75-45-28-16-29-46-75,76-47-51-78(104-9)52-48-76)77-49-53-79(105-10)54-50-77;1-60(2)94(61(3)4)116(107-56-32-53-93)106-55-31-17-30-54-102-89-64(7)80(82(112-87(98)69-39-24-14-25-40-69)76(108-89)57-103-84(95)66-33-18-11-19-34-66)115-91-65(8)81(83(113-88(99)70-41-26-15-27-42-70)77(109-91)58-104-85(96)67-35-20-12-21-36-67)114-90-63(6)62(5)79(111-86(97)68-37-22-13-23-38-68)78(110-90)59-105-92(71-43-28-16-29-44-71,72-45-49-74(100-9)50-46-72)73-47-51-75(101-10)52-48-73/h2*11-16,18-29,35-54,64-69,80-87,93-95H,17,30-34,56-63H2,1-10H3;11-16,18-29,33-52,60-65,76-83,89-91H,17,30-32,54-59H2,1-10H3.
What are the key properties of [3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[bis(4-methoxyphenyl)-phenylmethoxy]pentoxy]-5-methyloxan-2-yl]methyl benzoate?
[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[bis(4-methoxyphenyl)-phenylmethoxy]pentoxy]-5-methyloxan-2-yl]methyl benzoate has a molecular weight of 4961.67 g/mol, XLogP of 50.71, 124 rotatable bonds, 0 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for [3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentoxy]-5-methyloxan-2-yl]methyl benzoate;[3-benzoyloxy-4-[5-benzoyloxy-4-[5-benzoyloxy-6-[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxybutoxymethyl]-3,4-dimethyloxan-2-yl]oxy-6-(benzoyloxymethyl)-3-methyloxan-2-yl]oxy-6-[5-[bis(4-methoxyphenyl)-phenylmethoxy]pentoxy]-5-methyloxan-2-yl]methyl benzoate is sourced from PubChem (CID 167684645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).