bis(dihydroxyphosphanyl dihydrogen phosphite);dodecyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-dodecoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate;methyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate

C104H180O26P4 — CID 160654457

IUPACbis(dihydroxyphosphanyl dihydrogen phosphite);dodecyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-dodecoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate;methyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate
SMILESCCCCCCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(C(O)(c2c(C(C)(C)C)cc(CCC(=O)OCCCCCCCCCCCC)cc2C(C)(C)C)C(CO)(CO)CO)c(C(C)(C)C)c1.COC(=O)CCc1cc(C(C)(C)C)c(C(O)(c2c(C(C)(C)C)cc(CCC(=O)OC)cc2C(C)(C)C)C(CO)(CO)CO)c(C(C)(C)C)c1.OP(O)OP(O)O.OP(O)OP(O)O
InChIInChI=1S/C63H108O8.C41H64O8.2H4O5P2/c1-15-17-19-21-23-25-27-29-31-33-39-70-54(67)37-35-48-41-50(58(3,4)5)56(51(42-48)59(6,7)8)63(69,62(45-64,46-65)47-66)57-52(60(9,10)11)43-49(44-53(57)61(12,13)14)36-38-55(68)71-40-34-32-30-28-26-24-22-20-18-16-2;1-36(2,3)28-19-26(15-17-32(45)48-13)20-29(37(4,5)6)34(28)41(47,40(23-42,24-43)25-44)35-30(38(7,8)9)21-27(16-18-33(46)49-14)22-31(35)39(10,11)12;2*1-6(2)5-7(3)4/h41-44,64-66,69H,15-40,45-47H2,1-14H3;19-22,42-44,47H,15-18,23-25H2,1-14H3;2*1-4H
InChIKeyRKWBLXKCGQFCEI-UHFFFAOYSA-N
MW1970.45 g/mol
LogP20.01
Rot. Bonds50

About bis(dihydroxyphosphanyl dihydrogen phosphite);dodecyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-dodecoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate;methyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate

bis(dihydroxyphosphanyl dihydrogen phosphite);dodecyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-dodecoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate;methyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate (PubChem CID 160654457) has the molecular formula C104H180O26P4 and a molecular weight of 1970.45 g/mol. Its IUPAC name is bis(dihydroxyphosphanyl dihydrogen phosphite);dodecyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-dodecoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate;methyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate.

Molecular Properties

Compound Namebis(dihydroxyphosphanyl dihydrogen phosphite);dodecyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-dodecoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate;methyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate
PubChem CID160654457
Molecular FormulaC104H180O26P4
Molecular Weight1970.45 g/mol
Exact Mass1969.17
IUPAC Namebis(dihydroxyphosphanyl dihydrogen phosphite);dodecyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-dodecoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate;methyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate
SMILESCCCCCCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(C(O)(c2c(C(C)(C)C)cc(CCC(=O)OCCCCCCCCCCCC)cc2C(C)(C)C)C(CO)(CO)CO)c(C(C)(C)C)c1.COC(=O)CCc1cc(C(C)(C)C)c(C(O)(c2c(C(C)(C)C)cc(CCC(=O)OC)cc2C(C)(C)C)C(CO)(CO)CO)c(C(C)(C)C)c1.OP(O)OP(O)O.OP(O)OP(O)O
InChIInChI=1S/C63H108O8.C41H64O8.2H4O5P2/c1-15-17-19-21-23-25-27-29-31-33-39-70-54(67)37-35-48-41-50(58(3,4)5)56(51(42-48)59(6,7)8)63(69,62(45-64,46-65)47-66)57-52(60(9,10)11)43-49(44-53(57)61(12,13)14)36-38-55(68)71-40-34-32-30-28-26-24-22-20-18-16-2;1-36(2,3)28-19-26(15-17-32(45)48-13)20-29(37(4,5)6)34(28)41(47,40(23-42,24-43)25-44)35-30(38(7,8)9)21-27(16-18-33(46)49-14)22-31(35)39(10,11)12;2*1-6(2)5-7(3)4/h41-44,64-66,69H,15-40,45-47H2,1-14H3;19-22,42-44,47H,15-18,23-25H2,1-14H3;2*1-4H
InChIKeyRKWBLXKCGQFCEI-UHFFFAOYSA-N
XLogP20.01
TPSA447.34 Ų
H-Bond Donors16
H-Bond Acceptors26
Rotatable Bonds50
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001970.45
LogP ≤ 520.01
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis(dihydroxyphosphanyl dihydrogen phosphite);dodecyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-dodecoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate;methyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate 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

dihydroxyphosphanyl dihydrogen phosphite;methyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate
CID 157061986
methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 88503135
2,6-ditert-butyl-4-methylphenol;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 88606677
tetradecyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
CID 118862021
butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methane
CID 160740972
pentadecyl 3-(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate
CID 118862212
hexyl 3-[3-tert-butyl-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-hydroxyphenyl]propanoate
CID 175394053
octyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phenol
CID 158452826
octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phenol
CID 22445844
octadecyl 3-[3-tert-butyl-4-[[2-tert-butyl-6-methyl-4-(3-octadecoxy-3-oxopropyl)phenoxy]-hydroxyphosphanyl]oxy-5-methylphenyl]propanoate;phosphorous acid
CID 157207745
7-propylpentadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 22561152
octadecyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate
CID 19979679

Frequently Asked Questions

What is the IUPAC name of bis(dihydroxyphosphanyl dihydrogen phosphite);dodecyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-dodecoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate;methyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate?
The IUPAC name of bis(dihydroxyphosphanyl dihydrogen phosphite);dodecyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-dodecoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate;methyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate (CID 160654457) is bis(dihydroxyphosphanyl dihydrogen phosphite);dodecyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-dodecoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate;methyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate.
What is the SMILES notation for bis(dihydroxyphosphanyl dihydrogen phosphite);dodecyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-dodecoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate;methyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate?
The canonical SMILES for bis(dihydroxyphosphanyl dihydrogen phosphite);dodecyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-dodecoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate;methyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate is CCCCCCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(C(O)(c2c(C(C)(C)C)cc(CCC(=O)OCCCCCCCCCCCC)cc2C(C)(C)C)C(CO)(CO)CO)c(C(C)(C)C)c1.COC(=O)CCc1cc(C(C)(C)C)c(C(O)(c2c(C(C)(C)C)cc(CCC(=O)OC)cc2C(C)(C)C)C(CO)(CO)CO)c(C(C)(C)C)c1.OP(O)OP(O)O.OP(O)OP(O)O.
What is the InChIKey of bis(dihydroxyphosphanyl dihydrogen phosphite);dodecyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-dodecoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate;methyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate?
The InChIKey is RKWBLXKCGQFCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H108O8.C41H64O8.2H4O5P2/c1-15-17-19-21-23-25-27-29-31-33-39-70-54(67)37-35-48-41-50(58(3,4)5)56(51(42-48)59(6,7)8)63(69,62(45-64,46-65)47-66)57-52(60(9,10)11)43-49(44-53(57)61(12,13)14)36-38-55(68)71-40-34-32-30-28-26-24-22-20-18-16-2;1-36(2,3)28-19-26(15-17-32(45)48-13)20-29(37(4,5)6)34(28)41(47,40(23-42,24-43)25-44)35-30(38(7,8)9)21-27(16-18-33(46)49-14)22-31(35)39(10,11)12;2*1-6(2)5-7(3)4/h41-44,64-66,69H,15-40,45-47H2,1-14H3;19-22,42-44,47H,15-18,23-25H2,1-14H3;2*1-4H.
What are the key properties of bis(dihydroxyphosphanyl dihydrogen phosphite);dodecyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-dodecoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate;methyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate?
bis(dihydroxyphosphanyl dihydrogen phosphite);dodecyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-dodecoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate;methyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate has a molecular weight of 1970.45 g/mol, XLogP of 20.01, 50 rotatable bonds, 16 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dihydroxyphosphanyl dihydrogen phosphite);dodecyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-dodecoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate;methyl 3-[3,5-ditert-butyl-4-[1-[2,6-ditert-butyl-4-(3-methoxy-3-oxopropyl)phenyl]-1,3-dihydroxy-2,2-bis(hydroxymethyl)propyl]phenyl]propanoate is sourced from PubChem (CID 160654457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).