CID 10920347

C78H40O12P4 — CID 10920347

IUPAC—
SMILESCCOP(=O)(OCC)C1(P(=O)(OCC)OCC)C23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c(c6c6c4c4c%16c%17c%18c(c%19c%20c2c5c8c2c%20c5c%19c8c%18c%18c%19c%17c%17c4c6c%15c4c%14c6c%12c%12c%14c%11c(c92)c5c%14c8c%18c%12c6c%19c4%17)C%1631)C71C%10%13C1(P(=O)(OCC)OCC)P(=O)(OCC)OCC
InChIInChI=1S/C78H40O12P4/c1-9-83-91(79,84-10-2)77(92(80,85-11-3)86-12-4)73-65-49-37-25-17-18-22-19-23-31-39(27(19)25)51(49)67(73)57-45(31)36-44-34(23)42-30(22)38-26(18)28-20-21(17)29(37)41-33-24(20)32-40(28)52-50(38)66-54(42)56(44)70-62-47(36)59(57)71-63-61-48-35(43(33)55(53(41)65)69(61)75(71,73)77)46(32)58-60(48)72(64(62)63)76(70)74(66,68(52)58)78(76,93(81,87-13-5)88-14-6)94(82,89-15-7)90-16-8/h9-16H2,1-8H3
InChIKeyQQHONJMHOCDWNM-UHFFFAOYSA-N
MW1293.06 g/mol
LogP21.34
Rot. Bonds20

About CID 10920347

CID 10920347 (PubChem CID 10920347) has the molecular formula C78H40O12P4 and a molecular weight of 1293.06 g/mol.

Molecular Properties

Compound NameCID 10920347
PubChem CID10920347
Molecular FormulaC78H40O12P4
Molecular Weight1293.06 g/mol
Exact Mass1292.15
IUPAC Name—
SMILESCCOP(=O)(OCC)C1(P(=O)(OCC)OCC)C23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c(c6c6c4c4c%16c%17c%18c(c%19c%20c2c5c8c2c%20c5c%19c8c%18c%18c%19c%17c%17c4c6c%15c4c%14c6c%12c%12c%14c%11c(c92)c5c%14c8c%18c%12c6c%19c4%17)C%1631)C71C%10%13C1(P(=O)(OCC)OCC)P(=O)(OCC)OCC
InChIInChI=1S/C78H40O12P4/c1-9-83-91(79,84-10-2)77(92(80,85-11-3)86-12-4)73-65-49-37-25-17-18-22-19-23-31-39(27(19)25)51(49)67(73)57-45(31)36-44-34(23)42-30(22)38-26(18)28-20-21(17)29(37)41-33-24(20)32-40(28)52-50(38)66-54(42)56(44)70-62-47(36)59(57)71-63-61-48-35(43(33)55(53(41)65)69(61)75(71,73)77)46(32)58-60(48)72(64(62)63)76(70)74(66,68(52)58)78(76,93(81,87-13-5)88-14-6)94(82,89-15-7)90-16-8/h9-16H2,1-8H3
InChIKeyQQHONJMHOCDWNM-UHFFFAOYSA-N
XLogP21.34
TPSA142.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001293.06
LogP ≤ 521.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze CID 10920347 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

2-diethoxyphosphoryl-2,3,3-trimethyloxirane
CID 24975893
1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid
CID 87482421
1,1-bis(diethoxyphosphoryl)cyclohexane
CID 14689987
alumane;ethyl dihydrogen phosphate
CID 173113989
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
(1-diethoxyphosphoryl-2-methylidenecyclopropyl)phosphonic acid
CID 22212406
diethyl hydrogen phosphate;dimethyl hydrogen phosphate;dihydrochloride
CID 173401897
(2R)-2-diethoxyphosphoryl-2,5-dimethyl-3,4-dihydropyrrole
CID 11424790
CID 11461408
CID 11461408
2-diethoxyphosphoryl-2-methylcyclohexan-1-one
CID 11791525
1-[ethoxy((114C)methyl)(14C)phosphoryl]oxyethane
CID 11062590
diaminophosphoryloxyethane
CID 12620494

Frequently Asked Questions

What is the IUPAC name of CID 10920347?
The IUPAC name of CID 10920347 (CID 10920347) is not available.
What is the SMILES notation for CID 10920347?
The canonical SMILES for CID 10920347 is CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)C23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c(c6c6c4c4c%16c%17c%18c(c%19c%20c2c5c8c2c%20c5c%19c8c%18c%18c%19c%17c%17c4c6c%15c4c%14c6c%12c%12c%14c%11c(c92)c5c%14c8c%18c%12c6c%19c4%17)C%1631)C71C%10%13C1(P(=O)(OCC)OCC)P(=O)(OCC)OCC.
What is the InChIKey of CID 10920347?
The InChIKey is QQHONJMHOCDWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H40O12P4/c1-9-83-91(79,84-10-2)77(92(80,85-11-3)86-12-4)73-65-49-37-25-17-18-22-19-23-31-39(27(19)25)51(49)67(73)57-45(31)36-44-34(23)42-30(22)38-26(18)28-20-21(17)29(37)41-33-24(20)32-40(28)52-50(38)66-54(42)56(44)70-62-47(36)59(57)71-63-61-48-35(43(33)55(53(41)65)69(61)75(71,73)77)46(32)58-60(48)72(64(62)63)76(70)74(66,68(52)58)78(76,93(81,87-13-5)88-14-6)94(82,89-15-7)90-16-8/h9-16H2,1-8H3.
What are the key properties of CID 10920347?
CID 10920347 has a molecular weight of 1293.06 g/mol, XLogP of 21.34, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10920347 is sourced from PubChem (CID 10920347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).