dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6R)-6-methoxymorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium;ethane

C20H47N4O7P2+ — CID 155701013

IUPACdimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6R)-6-methoxymorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium;ethane
SMILESCC.CC.CO[C@H]1CNC[C@@H](COP(=O)(N(C)C)N2C[C@@H](CO[P+](=O)N(C)C)O[C@@H](C)C2)O1
InChIInChI=1S/C16H35N4O7P2.2C2H6/c1-13-9-20(10-15(26-13)11-24-28(21)18(2)3)29(22,19(4)5)25-12-14-7-17-8-16(23-6)27-14;2*1-2/h13-17H,7-12H2,1-6H3;2*1-2H3/q+1;;/t13-,14-,15-,16+,29?;;/m0../s1
InChIKeyCNLSSYOTPPSRHF-VKUVWBFWSA-N
MW517.57 g/mol
LogP3.01
Rot. Bonds10

About dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6R)-6-methoxymorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium;ethane

dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6R)-6-methoxymorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium;ethane (PubChem CID 155701013) has the molecular formula C20H47N4O7P2+ and a molecular weight of 517.57 g/mol. Its IUPAC name is dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6R)-6-methoxymorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium;ethane.

Molecular Properties

Compound Namedimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6R)-6-methoxymorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium;ethane
PubChem CID155701013
Molecular FormulaC20H47N4O7P2+
Molecular Weight517.57 g/mol
Exact Mass517.29
IUPAC Namedimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6R)-6-methoxymorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium;ethane
SMILESCC.CC.CO[C@H]1CNC[C@@H](COP(=O)(N(C)C)N2C[C@@H](CO[P+](=O)N(C)C)O[C@@H](C)C2)O1
InChIInChI=1S/C16H35N4O7P2.2C2H6/c1-13-9-20(10-15(26-13)11-24-28(21)18(2)3)29(22,19(4)5)25-12-14-7-17-8-16(23-6)27-14;2*1-2/h13-17H,7-12H2,1-6H3;2*1-2H3/q+1;;/t13-,14-,15-,16+,29?;;/m0../s1
InChIKeyCNLSSYOTPPSRHF-VKUVWBFWSA-N
XLogP3.01
TPSA102.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.57
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6R)-6-methoxymorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium;ethane?
The IUPAC name of dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6R)-6-methoxymorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium;ethane (CID 155701013) is dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6R)-6-methoxymorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium;ethane.
What is the SMILES notation for dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6R)-6-methoxymorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium;ethane?
The canonical SMILES for dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6R)-6-methoxymorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium;ethane is CC.CC.CO[C@H]1CNC[C@@H](COP(=O)(N(C)C)N2C[C@@H](CO[P+](=O)N(C)C)O[C@@H](C)C2)O1.
What is the InChIKey of dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6R)-6-methoxymorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium;ethane?
The InChIKey is CNLSSYOTPPSRHF-VKUVWBFWSA-N. The full InChI is InChI=1S/C16H35N4O7P2.2C2H6/c1-13-9-20(10-15(26-13)11-24-28(21)18(2)3)29(22,19(4)5)25-12-14-7-17-8-16(23-6)27-14;2*1-2/h13-17H,7-12H2,1-6H3;2*1-2H3/q+1;;/t13-,14-,15-,16+,29?;;/m0../s1.
What are the key properties of dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6R)-6-methoxymorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium;ethane?
dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6R)-6-methoxymorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium;ethane has a molecular weight of 517.57 g/mol, XLogP of 3.01, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6R)-6-methoxymorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium;ethane is sourced from PubChem (CID 155701013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).