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

C29H63N8O14P4+ — CID 146223178

IUPACdimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium
SMILESC[C@H]1CN(P(=O)(OC[C@@H]2CN(P(=O)(OC[C@@H]3CN(P(=O)(OC[C@@H]4CNC[C@H](O)O4)N(C)C)C[C@H](O)O3)N(C)C)CCO2)N(C)C)C[C@@H](CO[P+](=O)N(C)C)O1
InChIInChI=1S/C29H63N8O14P4/c1-23-14-36(16-26(49-23)19-45-52(40)31(2)3)54(42,33(6)7)47-21-25-15-35(10-11-44-25)53(41,32(4)5)48-22-27-17-37(18-29(39)51-27)55(43,34(8)9)46-20-24-12-30-13-28(38)50-24/h23-30,38-39H,10-22H2,1-9H3/q+1/t23-,24-,25-,26-,27-,28+,29+,53?,54?,55?/m0/s1
InChIKeySAXFZROXHNANPQ-HMJHITNNSA-N
MW871.76 g/mol
LogP0.40
Rot. Bonds19

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

dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium (PubChem CID 146223178) has the molecular formula C29H63N8O14P4+ and a molecular weight of 871.76 g/mol. Its IUPAC name is dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium.

Molecular Properties

Compound Namedimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium
PubChem CID146223178
Molecular FormulaC29H63N8O14P4+
Molecular Weight871.76 g/mol
Exact Mass871.34
IUPAC Namedimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium
SMILESC[C@H]1CN(P(=O)(OC[C@@H]2CN(P(=O)(OC[C@@H]3CN(P(=O)(OC[C@@H]4CNC[C@H](O)O4)N(C)C)C[C@H](O)O3)N(C)C)CCO2)N(C)C)C[C@@H](CO[P+](=O)N(C)C)O1
InChIInChI=1S/C29H63N8O14P4/c1-23-14-36(16-26(49-23)19-45-52(40)31(2)3)54(42,33(6)7)47-21-25-15-35(10-11-44-25)53(41,32(4)5)48-22-27-17-37(18-29(39)51-27)55(43,34(8)9)46-20-24-12-30-13-28(38)50-24/h23-30,38-39H,10-22H2,1-9H3/q+1/t23-,24-,25-,26-,27-,28+,29+,53?,54?,55?/m0/s1
InChIKeySAXFZROXHNANPQ-HMJHITNNSA-N
XLogP0.40
TPSA217.29 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.76
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium?
The IUPAC name of dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium (CID 146223178) is dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium.
What is the SMILES notation for dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium?
The canonical SMILES for dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium is C[C@H]1CN(P(=O)(OC[C@@H]2CN(P(=O)(OC[C@@H]3CN(P(=O)(OC[C@@H]4CNC[C@H](O)O4)N(C)C)C[C@H](O)O3)N(C)C)CCO2)N(C)C)C[C@@H](CO[P+](=O)N(C)C)O1.
What is the InChIKey of dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium?
The InChIKey is SAXFZROXHNANPQ-HMJHITNNSA-N. The full InChI is InChI=1S/C29H63N8O14P4/c1-23-14-36(16-26(49-23)19-45-52(40)31(2)3)54(42,33(6)7)47-21-25-15-35(10-11-44-25)53(41,32(4)5)48-22-27-17-37(18-29(39)51-27)55(43,34(8)9)46-20-24-12-30-13-28(38)50-24/h23-30,38-39H,10-22H2,1-9H3/q+1/t23-,24-,25-,26-,27-,28+,29+,53?,54?,55?/m0/s1.
What are the key properties of dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium?
dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium has a molecular weight of 871.76 g/mol, XLogP of 0.40, 19 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium is sourced from PubChem (CID 146223178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).