deuterio(fluoro)methane;2-(diethoxyphosphorylmethyl)propane-1,3-diol;(2-ethoxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methanol;methane

C16H39FO9P2 — CID 161328994

IUPACdeuterio(fluoro)methane;2-(diethoxyphosphorylmethyl)propane-1,3-diol;(2-ethoxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methanol;methane
SMILESC.CCOP(=O)(CC(CO)CO)OCC.CCOP1(=O)CC(CO)CO1.[2H]CF
InChIInChI=1S/C8H19O5P.C6H13O4P.CH3F.CH4/c1-3-12-14(11,13-4-2)7-8(5-9)6-10;1-2-9-11(8)5-6(3-7)4-10-11;1-2;/h8-10H,3-7H2,1-2H3;6-7H,2-5H2,1H3;1H3;1H4/i;;1D;
InChIKeyVLDWLATYXSIUPN-XZVVQQHRSA-N
MW457.43 g/mol
LogP2.93
Rot. Bonds11

About deuterio(fluoro)methane;2-(diethoxyphosphorylmethyl)propane-1,3-diol;(2-ethoxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methanol;methane

deuterio(fluoro)methane;2-(diethoxyphosphorylmethyl)propane-1,3-diol;(2-ethoxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methanol;methane (PubChem CID 161328994) has the molecular formula C16H39FO9P2 and a molecular weight of 457.43 g/mol. Its IUPAC name is deuterio(fluoro)methane;2-(diethoxyphosphorylmethyl)propane-1,3-diol;(2-ethoxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methanol;methane.

Molecular Properties

Compound Namedeuterio(fluoro)methane;2-(diethoxyphosphorylmethyl)propane-1,3-diol;(2-ethoxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methanol;methane
PubChem CID161328994
Molecular FormulaC16H39FO9P2
Molecular Weight457.43 g/mol
Exact Mass457.21
IUPAC Namedeuterio(fluoro)methane;2-(diethoxyphosphorylmethyl)propane-1,3-diol;(2-ethoxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methanol;methane
SMILESC.CCOP(=O)(CC(CO)CO)OCC.CCOP1(=O)CC(CO)CO1.[2H]CF
InChIInChI=1S/C8H19O5P.C6H13O4P.CH3F.CH4/c1-3-12-14(11,13-4-2)7-8(5-9)6-10;1-2-9-11(8)5-6(3-7)4-10-11;1-2;/h8-10H,3-7H2,1-2H3;6-7H,2-5H2,1H3;1H3;1H4/i;;1D;
InChIKeyVLDWLATYXSIUPN-XZVVQQHRSA-N
XLogP2.93
TPSA131.75 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.43
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-methoxy-2-oxo-1,2λ5-oxaphospholan-4-yl]methanol
CID 138632639
5-(dimethoxyphosphorylmethyl)-2,2-diphenyl-1,3-dioxane;2-(dimethoxyphosphorylmethyl)propane-1,3-diol;methanol
CID 159658809
[5-(diethoxyphosphorylmethoxy)oxolan-2-yl]methanol
CID 72564123
4-(diethoxyphosphorylmethyl)octane
CID 102507048
4-(1-diethoxyphosphoryl-3-methylbut-2-en-2-yl)piperidine
CID 71661861
3-(diethoxyphosphorylmethyl)heptane
CID 13197361
1-[ethoxy(methoxymethyl)phosphoryl]oxyethane
CID 11658394
sodium diethoxyphosphorylmethanol
CID 22274944
1,1,2-tris(diethoxyphosphoryl)ethane
CID 10160299
3-[ethoxy(methoxy)phosphoryl]-2-methylprop-1-ene
CID 142703300
(3S)-1-diethoxyphosphoryl-3-hydroxybutan-2-one
CID 11481490
3-diethoxyphosphoryl-1,1-difluoropropan-2-amine
CID 102408421

Frequently Asked Questions

What is the IUPAC name of deuterio(fluoro)methane;2-(diethoxyphosphorylmethyl)propane-1,3-diol;(2-ethoxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methanol;methane?
The IUPAC name of deuterio(fluoro)methane;2-(diethoxyphosphorylmethyl)propane-1,3-diol;(2-ethoxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methanol;methane (CID 161328994) is deuterio(fluoro)methane;2-(diethoxyphosphorylmethyl)propane-1,3-diol;(2-ethoxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methanol;methane.
What is the SMILES notation for deuterio(fluoro)methane;2-(diethoxyphosphorylmethyl)propane-1,3-diol;(2-ethoxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methanol;methane?
The canonical SMILES for deuterio(fluoro)methane;2-(diethoxyphosphorylmethyl)propane-1,3-diol;(2-ethoxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methanol;methane is C.CCOP(=O)(CC(CO)CO)OCC.CCOP1(=O)CC(CO)CO1.[2H]CF.
What is the InChIKey of deuterio(fluoro)methane;2-(diethoxyphosphorylmethyl)propane-1,3-diol;(2-ethoxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methanol;methane?
The InChIKey is VLDWLATYXSIUPN-XZVVQQHRSA-N. The full InChI is InChI=1S/C8H19O5P.C6H13O4P.CH3F.CH4/c1-3-12-14(11,13-4-2)7-8(5-9)6-10;1-2-9-11(8)5-6(3-7)4-10-11;1-2;/h8-10H,3-7H2,1-2H3;6-7H,2-5H2,1H3;1H3;1H4/i;;1D;.
What are the key properties of deuterio(fluoro)methane;2-(diethoxyphosphorylmethyl)propane-1,3-diol;(2-ethoxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methanol;methane?
deuterio(fluoro)methane;2-(diethoxyphosphorylmethyl)propane-1,3-diol;(2-ethoxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methanol;methane has a molecular weight of 457.43 g/mol, XLogP of 2.93, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio(fluoro)methane;2-(diethoxyphosphorylmethyl)propane-1,3-diol;(2-ethoxy-2-oxo-1,2λ5-oxaphospholan-4-yl)methanol;methane is sourced from PubChem (CID 161328994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).