(2R,6S)-6-[[dimethylamino-[(2S)-2-[[dimethylamino-[(2S,6S)-2-[[dimethylamino-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]morpholin-2-ol

C28H60N7O12P3 — CID 134350316

IUPAC(2R,6S)-6-[[dimethylamino-[(2S)-2-[[dimethylamino-[(2S,6S)-2-[[dimethylamino-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]morpholin-2-ol
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)CCO3)N(C)C)C[C@H](C)O2)N(C)C)C[C@@H](CO)O1
InChIInChI=1S/C28H60N7O12P3/c1-22-13-34(15-25(18-36)45-22)49(39,31(5)6)44-21-27-17-35(14-23(2)46-27)50(40,32(7)8)43-20-26-16-33(9-10-41-26)48(38,30(3)4)42-19-24-11-29-12-28(37)47-24/h22-29,36-37H,9-21H2,1-8H3/t22-,23-,24-,25-,26-,27-,28+,48?,49?,50?/m0/s1
InChIKeyCBUNVEHQHCALCX-GMEXFKFVSA-N
MW779.75 g/mol
LogP0.22
Rot. Bonds16

About (2R,6S)-6-[[dimethylamino-[(2S)-2-[[dimethylamino-[(2S,6S)-2-[[dimethylamino-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]morpholin-2-ol

(2R,6S)-6-[[dimethylamino-[(2S)-2-[[dimethylamino-[(2S,6S)-2-[[dimethylamino-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]morpholin-2-ol (PubChem CID 134350316) has the molecular formula C28H60N7O12P3 and a molecular weight of 779.75 g/mol. Its IUPAC name is (2R,6S)-6-[[dimethylamino-[(2S)-2-[[dimethylamino-[(2S,6S)-2-[[dimethylamino-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]morpholin-2-ol.

Molecular Properties

Compound Name(2R,6S)-6-[[dimethylamino-[(2S)-2-[[dimethylamino-[(2S,6S)-2-[[dimethylamino-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]morpholin-2-ol
PubChem CID134350316
Molecular FormulaC28H60N7O12P3
Molecular Weight779.75 g/mol
Exact Mass779.35
IUPAC Name(2R,6S)-6-[[dimethylamino-[(2S)-2-[[dimethylamino-[(2S,6S)-2-[[dimethylamino-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]morpholin-2-ol
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)CCO3)N(C)C)C[C@H](C)O2)N(C)C)C[C@@H](CO)O1
InChIInChI=1S/C28H60N7O12P3/c1-22-13-34(15-25(18-36)45-22)49(39,31(5)6)44-21-27-17-35(14-23(2)46-27)50(40,32(7)8)43-20-26-16-33(9-10-41-26)48(38,30(3)4)42-19-24-11-29-12-28(37)47-24/h22-29,36-37H,9-21H2,1-8H3/t22-,23-,24-,25-,26-,27-,28+,48?,49?,50?/m0/s1
InChIKeyCBUNVEHQHCALCX-GMEXFKFVSA-N
XLogP0.22
TPSA187.75 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.75
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze (2R,6S)-6-[[dimethylamino-[(2S)-2-[[dimethylamino-[(2S,6S)-2-[[dimethylamino-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]morpholin-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-6-[[dimethylamino-[(2S)-2-[[dimethylamino-[(2S,6S)-2-[[dimethylamino-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]morpholin-2-ol?
The IUPAC name of (2R,6S)-6-[[dimethylamino-[(2S)-2-[[dimethylamino-[(2S,6S)-2-[[dimethylamino-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]morpholin-2-ol (CID 134350316) is (2R,6S)-6-[[dimethylamino-[(2S)-2-[[dimethylamino-[(2S,6S)-2-[[dimethylamino-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]morpholin-2-ol.
What is the SMILES notation for (2R,6S)-6-[[dimethylamino-[(2S)-2-[[dimethylamino-[(2S,6S)-2-[[dimethylamino-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]morpholin-2-ol?
The canonical SMILES for (2R,6S)-6-[[dimethylamino-[(2S)-2-[[dimethylamino-[(2S,6S)-2-[[dimethylamino-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]morpholin-2-ol 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)CCO3)N(C)C)C[C@H](C)O2)N(C)C)C[C@@H](CO)O1.
What is the InChIKey of (2R,6S)-6-[[dimethylamino-[(2S)-2-[[dimethylamino-[(2S,6S)-2-[[dimethylamino-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]morpholin-2-ol?
The InChIKey is CBUNVEHQHCALCX-GMEXFKFVSA-N. The full InChI is InChI=1S/C28H60N7O12P3/c1-22-13-34(15-25(18-36)45-22)49(39,31(5)6)44-21-27-17-35(14-23(2)46-27)50(40,32(7)8)43-20-26-16-33(9-10-41-26)48(38,30(3)4)42-19-24-11-29-12-28(37)47-24/h22-29,36-37H,9-21H2,1-8H3/t22-,23-,24-,25-,26-,27-,28+,48?,49?,50?/m0/s1.
What are the key properties of (2R,6S)-6-[[dimethylamino-[(2S)-2-[[dimethylamino-[(2S,6S)-2-[[dimethylamino-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]morpholin-2-ol?
(2R,6S)-6-[[dimethylamino-[(2S)-2-[[dimethylamino-[(2S,6S)-2-[[dimethylamino-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]morpholin-2-ol has a molecular weight of 779.75 g/mol, XLogP of 0.22, 16 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-6-[[dimethylamino-[(2S)-2-[[dimethylamino-[(2S,6S)-2-[[dimethylamino-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]morpholin-2-ol is sourced from PubChem (CID 134350316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).