dimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S)-morpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium

C16H35N4O6P2+ — CID 134442399

IUPACdimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S)-morpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium
SMILESCN(C)[P+](=O)OC[C@@H]1CN(CCP(=O)(OC[C@@H]2CNCCO2)N(C)C)CCO1
InChIInChI=1S/C16H35N4O6P2/c1-18(2)27(21)25-13-16-12-20(6-9-24-16)7-10-28(22,19(3)4)26-14-15-11-17-5-8-23-15/h15-17H,5-14H2,1-4H3/q+1/t15-,16-,28?/m0/s1
InChIKeyHMMIRQZOTGZMAA-OBNLNHIXSA-N
MW441.43 g/mol
LogP0.68
Rot. Bonds11

About dimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S)-morpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium

dimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S)-morpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium (PubChem CID 134442399) has the molecular formula C16H35N4O6P2+ and a molecular weight of 441.43 g/mol. Its IUPAC name is dimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S)-morpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium.

Molecular Properties

Compound Namedimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S)-morpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium
PubChem CID134442399
Molecular FormulaC16H35N4O6P2+
Molecular Weight441.43 g/mol
Exact Mass441.20
IUPAC Namedimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S)-morpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium
SMILESCN(C)[P+](=O)OC[C@@H]1CN(CCP(=O)(OC[C@@H]2CNCCO2)N(C)C)CCO1
InChIInChI=1S/C16H35N4O6P2/c1-18(2)27(21)25-13-16-12-20(6-9-24-16)7-10-28(22,19(3)4)26-14-15-11-17-5-8-23-15/h15-17H,5-14H2,1-4H3/q+1/t15-,16-,28?/m0/s1
InChIKeyHMMIRQZOTGZMAA-OBNLNHIXSA-N
XLogP0.68
TPSA92.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.43
LogP ≤ 50.68
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)-4-[2-[dimethylamino-[[(2S)-morpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium?
The IUPAC name of dimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S)-morpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium (CID 134442399) is dimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S)-morpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium.
What is the SMILES notation for dimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S)-morpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium?
The canonical SMILES for dimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S)-morpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium is CN(C)[P+](=O)OC[C@@H]1CN(CCP(=O)(OC[C@@H]2CNCCO2)N(C)C)CCO1.
What is the InChIKey of dimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S)-morpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium?
The InChIKey is HMMIRQZOTGZMAA-OBNLNHIXSA-N. The full InChI is InChI=1S/C16H35N4O6P2/c1-18(2)27(21)25-13-16-12-20(6-9-24-16)7-10-28(22,19(3)4)26-14-15-11-17-5-8-23-15/h15-17H,5-14H2,1-4H3/q+1/t15-,16-,28?/m0/s1.
What are the key properties of dimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S)-morpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium?
dimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S)-morpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium has a molecular weight of 441.43 g/mol, XLogP of 0.68, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S)-morpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium is sourced from PubChem (CID 134442399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).