(4R,7R)-4,7-diphenyl-2-[[(1S,3S,7S,9R)-5,5,11,11-tetramethyl-8-[[(4R,7R)-2-oxo-4,7-diphenyl-1,3,2λ5-dioxaphosphepan-2-yl]oxy]-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-1,3,2λ5-dioxaphosphepane 2-oxide

C44H50O12P2 — CID 132595418

IUPAC(4R,7R)-4,7-diphenyl-2-[[(1S,3S,7S,9R)-5,5,11,11-tetramethyl-8-[[(4R,7R)-2-oxo-4,7-diphenyl-1,3,2λ5-dioxaphosphepan-2-yl]oxy]-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-1,3,2λ5-dioxaphosphepane 2-oxide
SMILESCC1(C)O[C@@H]2C(OP3(=O)O[C@@H](c4ccccc4)CC[C@H](c4ccccc4)O3)[C@H]3OC(C)(C)O[C@H]3C(OP3(=O)O[C@@H](c4ccccc4)CC[C@H](c4ccccc4)O3)[C@H]2O1
InChIInChI=1S/C44H50O12P2/c1-43(2)47-37-38(48-43)42(56-58(46)53-35(31-21-13-7-14-22-31)27-28-36(54-58)32-23-15-8-16-24-32)40-39(49-44(3,4)50-40)41(37)55-57(45)51-33(29-17-9-5-10-18-29)25-26-34(52-57)30-19-11-6-12-20-30/h5-24,33-42H,25-28H2,1-4H3/t33-,34-,35-,36-,37-,38+,39+,40+,41?,42?/m1/s1
InChIKeyAMIIHYZFUFVPGZ-ZSPPLTRRSA-N
MW832.82 g/mol
LogP10.65
Rot. Bonds8

About (4R,7R)-4,7-diphenyl-2-[[(1S,3S,7S,9R)-5,5,11,11-tetramethyl-8-[[(4R,7R)-2-oxo-4,7-diphenyl-1,3,2λ5-dioxaphosphepan-2-yl]oxy]-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-1,3,2λ5-dioxaphosphepane 2-oxide

(4R,7R)-4,7-diphenyl-2-[[(1S,3S,7S,9R)-5,5,11,11-tetramethyl-8-[[(4R,7R)-2-oxo-4,7-diphenyl-1,3,2λ5-dioxaphosphepan-2-yl]oxy]-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-1,3,2λ5-dioxaphosphepane 2-oxide (PubChem CID 132595418) has the molecular formula C44H50O12P2 and a molecular weight of 832.82 g/mol. Its IUPAC name is (4R,7R)-4,7-diphenyl-2-[[(1S,3S,7S,9R)-5,5,11,11-tetramethyl-8-[[(4R,7R)-2-oxo-4,7-diphenyl-1,3,2λ5-dioxaphosphepan-2-yl]oxy]-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-1,3,2λ5-dioxaphosphepane 2-oxide.

Molecular Properties

Compound Name(4R,7R)-4,7-diphenyl-2-[[(1S,3S,7S,9R)-5,5,11,11-tetramethyl-8-[[(4R,7R)-2-oxo-4,7-diphenyl-1,3,2λ5-dioxaphosphepan-2-yl]oxy]-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-1,3,2λ5-dioxaphosphepane 2-oxide
PubChem CID132595418
Molecular FormulaC44H50O12P2
Molecular Weight832.82 g/mol
Exact Mass832.28
IUPAC Name(4R,7R)-4,7-diphenyl-2-[[(1S,3S,7S,9R)-5,5,11,11-tetramethyl-8-[[(4R,7R)-2-oxo-4,7-diphenyl-1,3,2λ5-dioxaphosphepan-2-yl]oxy]-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-1,3,2λ5-dioxaphosphepane 2-oxide
SMILESCC1(C)O[C@@H]2C(OP3(=O)O[C@@H](c4ccccc4)CC[C@H](c4ccccc4)O3)[C@H]3OC(C)(C)O[C@H]3C(OP3(=O)O[C@@H](c4ccccc4)CC[C@H](c4ccccc4)O3)[C@H]2O1
InChIInChI=1S/C44H50O12P2/c1-43(2)47-37-38(48-43)42(56-58(46)53-35(31-21-13-7-14-22-31)27-28-36(54-58)32-23-15-8-16-24-32)40-39(49-44(3,4)50-40)41(37)55-57(45)51-33(29-17-9-5-10-18-29)25-26-34(52-57)30-19-11-6-12-20-30/h5-24,33-42H,25-28H2,1-4H3/t33-,34-,35-,36-,37-,38+,39+,40+,41?,42?/m1/s1
InChIKeyAMIIHYZFUFVPGZ-ZSPPLTRRSA-N
XLogP10.65
TPSA126.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500832.82
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze (4R,7R)-4,7-diphenyl-2-[[(1S,3S,7S,9R)-5,5,11,11-tetramethyl-8-[[(4R,7R)-2-oxo-4,7-diphenyl-1,3,2λ5-dioxaphosphepan-2-yl]oxy]-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-1,3,2λ5-dioxaphosphepane 2-oxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,7R)-4,7-diphenyl-2-[[(1S,3S,7S,9R)-5,5,11,11-tetramethyl-8-[[(4R,7R)-2-oxo-4,7-diphenyl-1,3,2λ5-dioxaphosphepan-2-yl]oxy]-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-1,3,2λ5-dioxaphosphepane 2-oxide?
The IUPAC name of (4R,7R)-4,7-diphenyl-2-[[(1S,3S,7S,9R)-5,5,11,11-tetramethyl-8-[[(4R,7R)-2-oxo-4,7-diphenyl-1,3,2λ5-dioxaphosphepan-2-yl]oxy]-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-1,3,2λ5-dioxaphosphepane 2-oxide (CID 132595418) is (4R,7R)-4,7-diphenyl-2-[[(1S,3S,7S,9R)-5,5,11,11-tetramethyl-8-[[(4R,7R)-2-oxo-4,7-diphenyl-1,3,2λ5-dioxaphosphepan-2-yl]oxy]-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-1,3,2λ5-dioxaphosphepane 2-oxide.
What is the SMILES notation for (4R,7R)-4,7-diphenyl-2-[[(1S,3S,7S,9R)-5,5,11,11-tetramethyl-8-[[(4R,7R)-2-oxo-4,7-diphenyl-1,3,2λ5-dioxaphosphepan-2-yl]oxy]-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-1,3,2λ5-dioxaphosphepane 2-oxide?
The canonical SMILES for (4R,7R)-4,7-diphenyl-2-[[(1S,3S,7S,9R)-5,5,11,11-tetramethyl-8-[[(4R,7R)-2-oxo-4,7-diphenyl-1,3,2λ5-dioxaphosphepan-2-yl]oxy]-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-1,3,2λ5-dioxaphosphepane 2-oxide is CC1(C)O[C@@H]2C(OP3(=O)O[C@@H](c4ccccc4)CC[C@H](c4ccccc4)O3)[C@H]3OC(C)(C)O[C@H]3C(OP3(=O)O[C@@H](c4ccccc4)CC[C@H](c4ccccc4)O3)[C@H]2O1.
What is the InChIKey of (4R,7R)-4,7-diphenyl-2-[[(1S,3S,7S,9R)-5,5,11,11-tetramethyl-8-[[(4R,7R)-2-oxo-4,7-diphenyl-1,3,2λ5-dioxaphosphepan-2-yl]oxy]-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-1,3,2λ5-dioxaphosphepane 2-oxide?
The InChIKey is AMIIHYZFUFVPGZ-ZSPPLTRRSA-N. The full InChI is InChI=1S/C44H50O12P2/c1-43(2)47-37-38(48-43)42(56-58(46)53-35(31-21-13-7-14-22-31)27-28-36(54-58)32-23-15-8-16-24-32)40-39(49-44(3,4)50-40)41(37)55-57(45)51-33(29-17-9-5-10-18-29)25-26-34(52-57)30-19-11-6-12-20-30/h5-24,33-42H,25-28H2,1-4H3/t33-,34-,35-,36-,37-,38+,39+,40+,41?,42?/m1/s1.
What are the key properties of (4R,7R)-4,7-diphenyl-2-[[(1S,3S,7S,9R)-5,5,11,11-tetramethyl-8-[[(4R,7R)-2-oxo-4,7-diphenyl-1,3,2λ5-dioxaphosphepan-2-yl]oxy]-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-1,3,2λ5-dioxaphosphepane 2-oxide?
(4R,7R)-4,7-diphenyl-2-[[(1S,3S,7S,9R)-5,5,11,11-tetramethyl-8-[[(4R,7R)-2-oxo-4,7-diphenyl-1,3,2λ5-dioxaphosphepan-2-yl]oxy]-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-1,3,2λ5-dioxaphosphepane 2-oxide has a molecular weight of 832.82 g/mol, XLogP of 10.65, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7R)-4,7-diphenyl-2-[[(1S,3S,7S,9R)-5,5,11,11-tetramethyl-8-[[(4R,7R)-2-oxo-4,7-diphenyl-1,3,2λ5-dioxaphosphepan-2-yl]oxy]-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-1,3,2λ5-dioxaphosphepane 2-oxide is sourced from PubChem (CID 132595418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).