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

C22H48N6O9P3+ — CID 139527109

IUPACdimethylamino-[[(2S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium
SMILESC[C@H]1CNC[C@@H](COP(=O)(N(C)C)N2CCO[C@H](COP(=O)(N(C)C)N3CCO[C@H](CO[P+](=O)N(C)C)C3)C2)O1
InChIInChI=1S/C22H48N6O9P3/c1-19-12-23-13-20(37-19)17-35-39(30,25(4)5)28-9-11-33-22(15-28)18-36-40(31,26(6)7)27-8-10-32-21(14-27)16-34-38(29)24(2)3/h19-23H,8-18H2,1-7H3/q+1/t19-,20-,21-,22-,39?,40?/m0/s1
InChIKeyUQGJXKYXASUMBU-HXZSHKHZSA-N
MW633.58 g/mol
LogP1.37
Rot. Bonds14

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

dimethylamino-[[(2S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium (PubChem CID 139527109) has the molecular formula C22H48N6O9P3+ and a molecular weight of 633.58 g/mol. Its IUPAC name is dimethylamino-[[(2S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium.

Molecular Properties

Compound Namedimethylamino-[[(2S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium
PubChem CID139527109
Molecular FormulaC22H48N6O9P3+
Molecular Weight633.58 g/mol
Exact Mass633.27
IUPAC Namedimethylamino-[[(2S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium
SMILESC[C@H]1CNC[C@@H](COP(=O)(N(C)C)N2CCO[C@H](COP(=O)(N(C)C)N3CCO[C@H](CO[P+](=O)N(C)C)C3)C2)O1
InChIInChI=1S/C22H48N6O9P3/c1-19-12-23-13-20(37-19)17-35-39(30,25(4)5)28-9-11-33-22(15-28)18-36-40(31,26(6)7)27-8-10-32-21(14-27)16-34-38(29)24(2)3/h19-23H,8-18H2,1-7H3/q+1/t19-,20-,21-,22-,39?,40?/m0/s1
InChIKeyUQGJXKYXASUMBU-HXZSHKHZSA-N
XLogP1.37
TPSA134.82 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500633.58
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

CID 71036904
CID 71036904
CID 87111489
CID 87111489
[2-[[Amino-[2-[[amino-(2-ethylmorpholin-4-yl)phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]morpholin-4-yl]phosphonamidic acid
CID 88274011
CID 89419362
CID 89419362
N-[[2-[[dimethylamino-[2-(methoxymethyl)-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-N-methylmethanamine
CID 89792729
CID 90278442
CID 90278442
2-[[Dimethylamino-[[4-[dimethylamino-[[4-[dimethylamino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]-methylamino]acetamide
CID 129133119
1-[[2-[[dimethylamino-[2-[[dimethylamino-(4-methylpiperazin-1-yl)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-[(4,6-dimethylmorpholin-2-yl)methoxy]phosphoryl]-N-methylmethanamine
CID 132007837
dimethylamino-[[(2S)-4-[2-[dimethylamino-[[(2S)-morpholin-2-yl]methoxy]phosphoryl]ethyl]morpholin-2-yl]methoxy]-oxophosphanium
CID 134442399
(2-Ethyl-6-methylmorpholin-4-yl)-[(6-methylmorpholin-2-yl)methoxy]-oxophosphanium
CID 137510121
amino-[[(2S,6S)-4-[[(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium
CID 139526869
dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium
CID 139526877

Frequently Asked Questions

What is the IUPAC name of dimethylamino-[[(2S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium?
The IUPAC name of dimethylamino-[[(2S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium (CID 139527109) is dimethylamino-[[(2S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium.
What is the SMILES notation for dimethylamino-[[(2S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium?
The canonical SMILES for dimethylamino-[[(2S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium is C[C@H]1CNC[C@@H](COP(=O)(N(C)C)N2CCO[C@H](COP(=O)(N(C)C)N3CCO[C@H](CO[P+](=O)N(C)C)C3)C2)O1.
What is the InChIKey of dimethylamino-[[(2S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium?
The InChIKey is UQGJXKYXASUMBU-HXZSHKHZSA-N. The full InChI is InChI=1S/C22H48N6O9P3/c1-19-12-23-13-20(37-19)17-35-39(30,25(4)5)28-9-11-33-22(15-28)18-36-40(31,26(6)7)27-8-10-32-21(14-27)16-34-38(29)24(2)3/h19-23H,8-18H2,1-7H3/q+1/t19-,20-,21-,22-,39?,40?/m0/s1.
What are the key properties of dimethylamino-[[(2S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium?
dimethylamino-[[(2S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium has a molecular weight of 633.58 g/mol, XLogP of 1.37, 14 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-[[(2S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium is sourced from PubChem (CID 139527109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).