2-diazo-2-dimethoxyphosphoryl-1-[(7S,8R)-8-hydroxy-1,4-dioxaspiro[4.4]nonan-7-yl]ethanone

C11H17N2O7P — CID 135794165

IUPAC2-diazo-2-dimethoxyphosphoryl-1-[(7S,8R)-8-hydroxy-1,4-dioxaspiro[4.4]nonan-7-yl]ethanone
SMILESCOP(=O)(OC)C(=[N+]=[N-])C(=O)[C@H]1CC2(C[C@H]1O)OCCO2
InChIInChI=1S/C11H17N2O7P/c1-17-21(16,18-2)10(13-12)9(15)7-5-11(6-8(7)14)19-3-4-20-11/h7-8,14H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyKRRZISWZJNWXSV-JGVFFNPUSA-N
MW320.24 g/mol
LogP0.18
Rot. Bonds5

About 2-diazo-2-dimethoxyphosphoryl-1-[(7S,8R)-8-hydroxy-1,4-dioxaspiro[4.4]nonan-7-yl]ethanone

2-diazo-2-dimethoxyphosphoryl-1-[(7S,8R)-8-hydroxy-1,4-dioxaspiro[4.4]nonan-7-yl]ethanone (PubChem CID 135794165) has the molecular formula C11H17N2O7P and a molecular weight of 320.24 g/mol. Its IUPAC name is 2-diazo-2-dimethoxyphosphoryl-1-[(7S,8R)-8-hydroxy-1,4-dioxaspiro[4.4]nonan-7-yl]ethanone.

Molecular Properties

Compound Name2-diazo-2-dimethoxyphosphoryl-1-[(7S,8R)-8-hydroxy-1,4-dioxaspiro[4.4]nonan-7-yl]ethanone
PubChem CID135794165
Molecular FormulaC11H17N2O7P
Molecular Weight320.24 g/mol
Exact Mass320.08
IUPAC Name2-diazo-2-dimethoxyphosphoryl-1-[(7S,8R)-8-hydroxy-1,4-dioxaspiro[4.4]nonan-7-yl]ethanone
SMILESCOP(=O)(OC)C(=[N+]=[N-])C(=O)[C@H]1CC2(C[C@H]1O)OCCO2
InChIInChI=1S/C11H17N2O7P/c1-17-21(16,18-2)10(13-12)9(15)7-5-11(6-8(7)14)19-3-4-20-11/h7-8,14H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyKRRZISWZJNWXSV-JGVFFNPUSA-N
XLogP0.18
TPSA127.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.24
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-diazo-2-dimethoxyphosphoryl-1-[(7S,8R)-8-hydroxy-1,4-dioxaspiro[4.4]nonan-7-yl]ethanone?
The IUPAC name of 2-diazo-2-dimethoxyphosphoryl-1-[(7S,8R)-8-hydroxy-1,4-dioxaspiro[4.4]nonan-7-yl]ethanone (CID 135794165) is 2-diazo-2-dimethoxyphosphoryl-1-[(7S,8R)-8-hydroxy-1,4-dioxaspiro[4.4]nonan-7-yl]ethanone.
What is the SMILES notation for 2-diazo-2-dimethoxyphosphoryl-1-[(7S,8R)-8-hydroxy-1,4-dioxaspiro[4.4]nonan-7-yl]ethanone?
The canonical SMILES for 2-diazo-2-dimethoxyphosphoryl-1-[(7S,8R)-8-hydroxy-1,4-dioxaspiro[4.4]nonan-7-yl]ethanone is COP(=O)(OC)C(=[N+]=[N-])C(=O)[C@H]1CC2(C[C@H]1O)OCCO2.
What is the InChIKey of 2-diazo-2-dimethoxyphosphoryl-1-[(7S,8R)-8-hydroxy-1,4-dioxaspiro[4.4]nonan-7-yl]ethanone?
The InChIKey is KRRZISWZJNWXSV-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H17N2O7P/c1-17-21(16,18-2)10(13-12)9(15)7-5-11(6-8(7)14)19-3-4-20-11/h7-8,14H,3-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of 2-diazo-2-dimethoxyphosphoryl-1-[(7S,8R)-8-hydroxy-1,4-dioxaspiro[4.4]nonan-7-yl]ethanone?
2-diazo-2-dimethoxyphosphoryl-1-[(7S,8R)-8-hydroxy-1,4-dioxaspiro[4.4]nonan-7-yl]ethanone has a molecular weight of 320.24 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-2-dimethoxyphosphoryl-1-[(7S,8R)-8-hydroxy-1,4-dioxaspiro[4.4]nonan-7-yl]ethanone is sourced from PubChem (CID 135794165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).