6-[[dimethylamino-[2-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]-4-[dimethylamino-[(6-hydroxymorpholin-2-yl)methoxy]phosphoryl]morpholin-2-ol

C22H49N6O11P3 — CID 145409805

IUPAC6-[[dimethylamino-[2-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]-4-[dimethylamino-[(6-hydroxymorpholin-2-yl)methoxy]phosphoryl]morpholin-2-ol
SMILESCN(C)P(C)(=O)OCC1CN(P(=O)(OCC2CN(P(=O)(OCC3CNCC(O)O3)N(C)C)CC(O)O2)N(C)C)CCO1
InChIInChI=1S/C22H49N6O11P3/c1-24(2)40(7,31)35-16-19-12-27(8-9-34-19)41(32,25(3)4)37-17-20-13-28(14-22(30)39-20)42(33,26(5)6)36-15-18-10-23-11-21(29)38-18/h18-23,29-30H,8-17H2,1-7H3
InChIKeyVGSFWLBHUGSHJK-UHFFFAOYSA-N
MW666.59 g/mol
LogP-0.21
Rot. Bonds14

About 6-[[dimethylamino-[2-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]-4-[dimethylamino-[(6-hydroxymorpholin-2-yl)methoxy]phosphoryl]morpholin-2-ol

6-[[dimethylamino-[2-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]-4-[dimethylamino-[(6-hydroxymorpholin-2-yl)methoxy]phosphoryl]morpholin-2-ol (PubChem CID 145409805) has the molecular formula C22H49N6O11P3 and a molecular weight of 666.59 g/mol. Its IUPAC name is 6-[[dimethylamino-[2-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]-4-[dimethylamino-[(6-hydroxymorpholin-2-yl)methoxy]phosphoryl]morpholin-2-ol.

Molecular Properties

Compound Name6-[[dimethylamino-[2-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]-4-[dimethylamino-[(6-hydroxymorpholin-2-yl)methoxy]phosphoryl]morpholin-2-ol
PubChem CID145409805
Molecular FormulaC22H49N6O11P3
Molecular Weight666.59 g/mol
Exact Mass666.27
IUPAC Name6-[[dimethylamino-[2-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]-4-[dimethylamino-[(6-hydroxymorpholin-2-yl)methoxy]phosphoryl]morpholin-2-ol
SMILESCN(C)P(C)(=O)OCC1CN(P(=O)(OCC2CN(P(=O)(OCC3CNCC(O)O3)N(C)C)CC(O)O2)N(C)C)CCO1
InChIInChI=1S/C22H49N6O11P3/c1-24(2)40(7,31)35-16-19-12-27(8-9-34-19)41(32,25(3)4)37-17-20-13-28(14-22(30)39-20)42(33,26(5)6)36-15-18-10-23-11-21(29)38-18/h18-23,29-30H,8-17H2,1-7H3
InChIKeyVGSFWLBHUGSHJK-UHFFFAOYSA-N
XLogP-0.21
TPSA175.28 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.59
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 6-[[dimethylamino-[2-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]-4-[dimethylamino-[(6-hydroxymorpholin-2-yl)methoxy]phosphoryl]morpholin-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[dimethylamino-[2-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]-4-[dimethylamino-[(6-hydroxymorpholin-2-yl)methoxy]phosphoryl]morpholin-2-ol?
The IUPAC name of 6-[[dimethylamino-[2-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]-4-[dimethylamino-[(6-hydroxymorpholin-2-yl)methoxy]phosphoryl]morpholin-2-ol (CID 145409805) is 6-[[dimethylamino-[2-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]-4-[dimethylamino-[(6-hydroxymorpholin-2-yl)methoxy]phosphoryl]morpholin-2-ol.
What is the SMILES notation for 6-[[dimethylamino-[2-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]-4-[dimethylamino-[(6-hydroxymorpholin-2-yl)methoxy]phosphoryl]morpholin-2-ol?
The canonical SMILES for 6-[[dimethylamino-[2-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]-4-[dimethylamino-[(6-hydroxymorpholin-2-yl)methoxy]phosphoryl]morpholin-2-ol is CN(C)P(C)(=O)OCC1CN(P(=O)(OCC2CN(P(=O)(OCC3CNCC(O)O3)N(C)C)CC(O)O2)N(C)C)CCO1.
What is the InChIKey of 6-[[dimethylamino-[2-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]-4-[dimethylamino-[(6-hydroxymorpholin-2-yl)methoxy]phosphoryl]morpholin-2-ol?
The InChIKey is VGSFWLBHUGSHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H49N6O11P3/c1-24(2)40(7,31)35-16-19-12-27(8-9-34-19)41(32,25(3)4)37-17-20-13-28(14-22(30)39-20)42(33,26(5)6)36-15-18-10-23-11-21(29)38-18/h18-23,29-30H,8-17H2,1-7H3.
What are the key properties of 6-[[dimethylamino-[2-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]-4-[dimethylamino-[(6-hydroxymorpholin-2-yl)methoxy]phosphoryl]morpholin-2-ol?
6-[[dimethylamino-[2-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]-4-[dimethylamino-[(6-hydroxymorpholin-2-yl)methoxy]phosphoryl]morpholin-2-ol has a molecular weight of 666.59 g/mol, XLogP of -0.21, 14 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[dimethylamino-[2-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]phosphoryl]oxymethyl]-4-[dimethylamino-[(6-hydroxymorpholin-2-yl)methoxy]phosphoryl]morpholin-2-ol is sourced from PubChem (CID 145409805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).