[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-(3-methoxyphosphanylperoxypropoxy)phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methanol

C34H65N9O13P4 — CID 166858713

IUPAC[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-(3-methoxyphosphanylperoxypropoxy)phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methanol
SMILESCOPOOCCCOP(N=C1N(C)CCN1C)O[C@@H]1CCOC1COP(N=C1N(C)CCN1C)O[C@@H]1CCOC1COP(N=C1N(C)CCN1C)O[C@@H]1CCOC1CO
InChIInChI=1S/C34H65N9O13P4/c1-38-12-13-39(2)32(38)35-58(50-19-8-18-49-56-57-45-7)54-27-10-21-47-30(27)24-52-60(37-34-42(5)16-17-43(34)6)55-28-11-22-48-31(28)25-51-59(36-33-40(3)14-15-41(33)4)53-26-9-20-46-29(26)23-44/h26-31,44,57H,8-25H2,1-7H3/t26-,27-,28-,29?,30?,31?,58?,59?,60?/m1/s1
InChIKeyBYUJQHQEGOTMAW-UGJSBSJCSA-N
MW931.84 g/mol
LogP2.42
Rot. Bonds24

About [(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-(3-methoxyphosphanylperoxypropoxy)phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methanol

[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-(3-methoxyphosphanylperoxypropoxy)phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methanol (PubChem CID 166858713) has the molecular formula C34H65N9O13P4 and a molecular weight of 931.84 g/mol. Its IUPAC name is [(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-(3-methoxyphosphanylperoxypropoxy)phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-(3-methoxyphosphanylperoxypropoxy)phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methanol
PubChem CID166858713
Molecular FormulaC34H65N9O13P4
Molecular Weight931.84 g/mol
Exact Mass931.37
IUPAC Name[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-(3-methoxyphosphanylperoxypropoxy)phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methanol
SMILESCOPOOCCCOP(N=C1N(C)CCN1C)O[C@@H]1CCOC1COP(N=C1N(C)CCN1C)O[C@@H]1CCOC1COP(N=C1N(C)CCN1C)O[C@@H]1CCOC1CO
InChIInChI=1S/C34H65N9O13P4/c1-38-12-13-39(2)32(38)35-58(50-19-8-18-49-56-57-45-7)54-27-10-21-47-30(27)24-52-60(37-34-42(5)16-17-43(34)6)55-28-11-22-48-31(28)25-51-59(36-33-40(3)14-15-41(33)4)53-26-9-20-46-29(26)23-44/h26-31,44,57H,8-25H2,1-7H3/t26-,27-,28-,29?,30?,31?,58?,59?,60?/m1/s1
InChIKeyBYUJQHQEGOTMAW-UGJSBSJCSA-N
XLogP2.42
TPSA187.51 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.84
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-(3-methoxyphosphanylperoxypropoxy)phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-(3-methoxyphosphanylperoxypropoxy)phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methanol?
The IUPAC name of [(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-(3-methoxyphosphanylperoxypropoxy)phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methanol (CID 166858713) is [(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-(3-methoxyphosphanylperoxypropoxy)phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methanol.
What is the SMILES notation for [(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-(3-methoxyphosphanylperoxypropoxy)phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methanol?
The canonical SMILES for [(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-(3-methoxyphosphanylperoxypropoxy)phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methanol is COPOOCCCOP(N=C1N(C)CCN1C)O[C@@H]1CCOC1COP(N=C1N(C)CCN1C)O[C@@H]1CCOC1COP(N=C1N(C)CCN1C)O[C@@H]1CCOC1CO.
What is the InChIKey of [(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-(3-methoxyphosphanylperoxypropoxy)phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methanol?
The InChIKey is BYUJQHQEGOTMAW-UGJSBSJCSA-N. The full InChI is InChI=1S/C34H65N9O13P4/c1-38-12-13-39(2)32(38)35-58(50-19-8-18-49-56-57-45-7)54-27-10-21-47-30(27)24-52-60(37-34-42(5)16-17-43(34)6)55-28-11-22-48-31(28)25-51-59(36-33-40(3)14-15-41(33)4)53-26-9-20-46-29(26)23-44/h26-31,44,57H,8-25H2,1-7H3/t26-,27-,28-,29?,30?,31?,58?,59?,60?/m1/s1.
What are the key properties of [(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-(3-methoxyphosphanylperoxypropoxy)phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methanol?
[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-(3-methoxyphosphanylperoxypropoxy)phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methanol has a molecular weight of 931.84 g/mol, XLogP of 2.42, 24 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(3R)-3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-(3-methoxyphosphanylperoxypropoxy)phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methoxy]phosphanyl]oxyoxolan-2-yl]methanol is sourced from PubChem (CID 166858713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).