dimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium

C17H37N4O6P2+ — CID 146341309

IUPACdimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium
SMILESC[C@H]1CNC[C@@H](COP(=O)(CCN2CCO[C@H](CO[P+](=O)N(C)C)C2)N(C)C)O1
InChIInChI=1S/C17H37N4O6P2/c1-15-10-18-11-16(27-15)14-26-29(23,20(4)5)9-7-21-6-8-24-17(12-21)13-25-28(22)19(2)3/h15-18H,6-14H2,1-5H3/q+1/t15-,16-,17-,29?/m0/s1
InChIKeyHMBVZHZYURUKON-CRWJPQJRSA-N
MW455.45 g/mol
LogP1.07
Rot. Bonds11

About dimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium

dimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium (PubChem CID 146341309) has the molecular formula C17H37N4O6P2+ and a molecular weight of 455.45 g/mol. Its IUPAC name is dimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium.

Molecular Properties

Compound Namedimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium
PubChem CID146341309
Molecular FormulaC17H37N4O6P2+
Molecular Weight455.45 g/mol
Exact Mass455.22
IUPAC Namedimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium
SMILESC[C@H]1CNC[C@@H](COP(=O)(CCN2CCO[C@H](CO[P+](=O)N(C)C)C2)N(C)C)O1
InChIInChI=1S/C17H37N4O6P2/c1-15-10-18-11-16(27-15)14-26-29(23,20(4)5)9-7-21-6-8-24-17(12-21)13-25-28(22)19(2)3/h15-18H,6-14H2,1-5H3/q+1/t15-,16-,17-,29?/m0/s1
InChIKeyHMBVZHZYURUKON-CRWJPQJRSA-N
XLogP1.07
TPSA92.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.45
LogP ≤ 51.07
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,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium?
The IUPAC name of dimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium (CID 146341309) is dimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium.
What is the SMILES notation for dimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium?
The canonical SMILES for dimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium is C[C@H]1CNC[C@@H](COP(=O)(CCN2CCO[C@H](CO[P+](=O)N(C)C)C2)N(C)C)O1.
What is the InChIKey of dimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium?
The InChIKey is HMBVZHZYURUKON-CRWJPQJRSA-N. The full InChI is InChI=1S/C17H37N4O6P2/c1-15-10-18-11-16(27-15)14-26-29(23,20(4)5)9-7-21-6-8-24-17(12-21)13-25-28(22)19(2)3/h15-18H,6-14H2,1-5H3/q+1/t15-,16-,17-,29?/m0/s1.
What are the key properties of dimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium?
dimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium has a molecular weight of 455.45 g/mol, XLogP of 1.07, 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,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium is sourced from PubChem (CID 146341309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).