[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol

C34H64N9O13P3 — CID 165163726

IUPAC[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol
SMILESCN1CCN(C)C1=NP(=O)(OCC1OCCC1OP(=O)(N=C1N(C)CCN1C)OCC1OCCC1OP(=O)(N=C1N(C)CCN1C)OC(C)(C)C)OC1CCOC1CO
InChIInChI=1S/C34H64N9O13P3/c1-34(2,3)56-59(47,37-33-42(8)17-18-43(33)9)55-27-12-21-50-30(27)24-52-58(46,36-32-40(6)15-16-41(32)7)54-26-11-20-49-29(26)23-51-57(45,35-31-38(4)13-14-39(31)5)53-25-10-19-48-28(25)22-44/h25-30,44H,10-24H2,1-9H3
InChIKeyCXJOQACXSILGBO-UHFFFAOYSA-N
MW899.86 g/mol
LogP2.37
Rot. Bonds17

About [3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol

[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol (PubChem CID 165163726) has the molecular formula C34H64N9O13P3 and a molecular weight of 899.86 g/mol. Its IUPAC name is [3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol.

Molecular Properties

Compound Name[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol
PubChem CID165163726
Molecular FormulaC34H64N9O13P3
Molecular Weight899.86 g/mol
Exact Mass899.38
IUPAC Name[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol
SMILESCN1CCN(C)C1=NP(=O)(OCC1OCCC1OP(=O)(N=C1N(C)CCN1C)OCC1OCCC1OP(=O)(N=C1N(C)CCN1C)OC(C)(C)C)OC1CCOC1CO
InChIInChI=1S/C34H64N9O13P3/c1-34(2,3)56-59(47,37-33-42(8)17-18-43(33)9)55-27-12-21-50-30(27)24-52-58(46,36-32-40(6)15-16-41(32)7)54-26-11-20-49-29(26)23-51-57(45,35-31-38(4)13-14-39(31)5)53-25-10-19-48-28(25)22-44/h25-30,44H,10-24H2,1-9H3
InChIKeyCXJOQACXSILGBO-UHFFFAOYSA-N
XLogP2.37
TPSA211.03 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.86
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol?
The IUPAC name of [3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol (CID 165163726) is [3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol.
What is the SMILES notation for [3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol?
The canonical SMILES for [3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol is CN1CCN(C)C1=NP(=O)(OCC1OCCC1OP(=O)(N=C1N(C)CCN1C)OCC1OCCC1OP(=O)(N=C1N(C)CCN1C)OC(C)(C)C)OC1CCOC1CO.
What is the InChIKey of [3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol?
The InChIKey is CXJOQACXSILGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H64N9O13P3/c1-34(2,3)56-59(47,37-33-42(8)17-18-43(33)9)55-27-12-21-50-30(27)24-52-58(46,36-32-40(6)15-16-41(32)7)54-26-11-20-49-29(26)23-51-57(45,35-31-38(4)13-14-39(31)5)53-25-10-19-48-28(25)22-44/h25-30,44H,10-24H2,1-9H3.
What are the key properties of [3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol?
[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol has a molecular weight of 899.86 g/mol, XLogP of 2.37, 17 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methanol is sourced from PubChem (CID 165163726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).