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

C14H31N4O8P2+ — CID 146223223

IUPACdimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium
SMILESCN(C)[P+](=O)OC[C@@H]1CN(P(=O)(OC[C@@H]2CNC[C@H](O)O2)N(C)C)C[C@H](O)O1
InChIInChI=1S/C14H31N4O8P2/c1-16(2)27(21)23-9-12-7-18(8-14(20)26-12)28(22,17(3)4)24-10-11-5-15-6-13(19)25-11/h11-15,19-20H,5-10H2,1-4H3/q+1/t11-,12-,13+,14+,28?/m0/s1
InChIKeyIJCJDGMOKADSNS-BCUYHNTPSA-N
MW445.37 g/mol
LogP-0.77
Rot. Bonds9

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

dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium (PubChem CID 146223223) has the molecular formula C14H31N4O8P2+ and a molecular weight of 445.37 g/mol. Its IUPAC name is dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium.

Molecular Properties

Compound Namedimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium
PubChem CID146223223
Molecular FormulaC14H31N4O8P2+
Molecular Weight445.37 g/mol
Exact Mass445.16
IUPAC Namedimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium
SMILESCN(C)[P+](=O)OC[C@@H]1CN(P(=O)(OC[C@@H]2CNC[C@H](O)O2)N(C)C)C[C@H](O)O1
InChIInChI=1S/C14H31N4O8P2/c1-16(2)27(21)23-9-12-7-18(8-14(20)26-12)28(22,17(3)4)24-10-11-5-15-6-13(19)25-11/h11-15,19-20H,5-10H2,1-4H3/q+1/t11-,12-,13+,14+,28?/m0/s1
InChIKeyIJCJDGMOKADSNS-BCUYHNTPSA-N
XLogP-0.77
TPSA133.27 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.37
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium?
The IUPAC name of dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium (CID 146223223) is dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium.
What is the SMILES notation for dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium?
The canonical SMILES for dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium is CN(C)[P+](=O)OC[C@@H]1CN(P(=O)(OC[C@@H]2CNC[C@H](O)O2)N(C)C)C[C@H](O)O1.
What is the InChIKey of dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium?
The InChIKey is IJCJDGMOKADSNS-BCUYHNTPSA-N. The full InChI is InChI=1S/C14H31N4O8P2/c1-16(2)27(21)23-9-12-7-18(8-14(20)26-12)28(22,17(3)4)24-10-11-5-15-6-13(19)25-11/h11-15,19-20H,5-10H2,1-4H3/q+1/t11-,12-,13+,14+,28?/m0/s1.
What are the key properties of dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium?
dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium has a molecular weight of 445.37 g/mol, XLogP of -0.77, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium is sourced from PubChem (CID 146223223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).