5-[[ethoxy(methoxy)phosphoryl]methylamino]-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol;methane

C13H30NO7P — CID 159361472

IUPAC5-[[ethoxy(methoxy)phosphoryl]methylamino]-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol;methane
SMILESC.CCOP(=O)(CNC1C(C)OC(CO)C(OC)C1O)OC
InChIInChI=1S/C12H26NO7P.CH4/c1-5-19-21(16,18-4)7-13-10-8(2)20-9(6-14)12(17-3)11(10)15;/h8-15H,5-7H2,1-4H3;1H4
InChIKeyLIPDAYNAHXCPCN-UHFFFAOYSA-N
MW343.36 g/mol
LogP0.57
Rot. Bonds8

About 5-[[ethoxy(methoxy)phosphoryl]methylamino]-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol;methane

5-[[ethoxy(methoxy)phosphoryl]methylamino]-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol;methane (PubChem CID 159361472) has the molecular formula C13H30NO7P and a molecular weight of 343.36 g/mol. Its IUPAC name is 5-[[ethoxy(methoxy)phosphoryl]methylamino]-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol;methane.

Molecular Properties

Compound Name5-[[ethoxy(methoxy)phosphoryl]methylamino]-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol;methane
PubChem CID159361472
Molecular FormulaC13H30NO7P
Molecular Weight343.36 g/mol
Exact Mass343.18
IUPAC Name5-[[ethoxy(methoxy)phosphoryl]methylamino]-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol;methane
SMILESC.CCOP(=O)(CNC1C(C)OC(CO)C(OC)C1O)OC
InChIInChI=1S/C12H26NO7P.CH4/c1-5-19-21(16,18-4)7-13-10-8(2)20-9(6-14)12(17-3)11(10)15;/h8-15H,5-7H2,1-4H3;1H4
InChIKeyLIPDAYNAHXCPCN-UHFFFAOYSA-N
XLogP0.57
TPSA106.48 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-(ethylamino)-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol
CID 134238121
(2R,4R,5R)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol;bis((2R,4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol);methane
CID 160896392
(2R,3R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
CID 149339632
(4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
CID 122579164
N-[(2S,3S,4R)-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2-methyloxan-3-yl]-2-methylprop-2-enamide
CID 147869647
2-[[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]amino]acetic acid
CID 154627440
[2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl]azanium
CID 140889398
(2R,4R,5R)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol;bis((2R,4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol);(2R,4R,5S)-5-methoxy-2,6-dimethyloxane-3,4-diol
CID 157104198
(2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
CID 101177678
N-[(2S,5S,6S)-4-hydroxy-5-[(2S,4R,5S)-4-hydroxy-6-(hydroxymethyl)-5-methoxy-3-[(2-sulfanylacetyl)amino]oxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-2-sulfanylacetamide
CID 171600474
(2R,3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol
CID 130976876
N-[(2R,4R,5S)-5-[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 158807122

Frequently Asked Questions

What is the IUPAC name of 5-[[ethoxy(methoxy)phosphoryl]methylamino]-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol;methane?
The IUPAC name of 5-[[ethoxy(methoxy)phosphoryl]methylamino]-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol;methane (CID 159361472) is 5-[[ethoxy(methoxy)phosphoryl]methylamino]-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol;methane.
What is the SMILES notation for 5-[[ethoxy(methoxy)phosphoryl]methylamino]-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol;methane?
The canonical SMILES for 5-[[ethoxy(methoxy)phosphoryl]methylamino]-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol;methane is C.CCOP(=O)(CNC1C(C)OC(CO)C(OC)C1O)OC.
What is the InChIKey of 5-[[ethoxy(methoxy)phosphoryl]methylamino]-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol;methane?
The InChIKey is LIPDAYNAHXCPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26NO7P.CH4/c1-5-19-21(16,18-4)7-13-10-8(2)20-9(6-14)12(17-3)11(10)15;/h8-15H,5-7H2,1-4H3;1H4.
What are the key properties of 5-[[ethoxy(methoxy)phosphoryl]methylamino]-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol;methane?
5-[[ethoxy(methoxy)phosphoryl]methylamino]-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol;methane has a molecular weight of 343.36 g/mol, XLogP of 0.57, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethoxy(methoxy)phosphoryl]methylamino]-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol;methane is sourced from PubChem (CID 159361472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).