ethoxy-oxo-[(4R,5R,6S,7E)-4,5,6-trihydroxy-7-phenylmethoxyiminoheptan-2-yl]phosphanium

C16H25NO6P+ — CID 134524632

IUPACethoxy-oxo-[(4R,5R,6S,7E)-4,5,6-trihydroxy-7-phenylmethoxyiminoheptan-2-yl]phosphanium
SMILESCCO[P+](=O)C(C)C[C@@H](O)[C@@H](O)[C@@H](O)/C=N/OCc1ccccc1
InChIInChI=1S/C16H25NO6P/c1-3-23-24(21)12(2)9-14(18)16(20)15(19)10-17-22-11-13-7-5-4-6-8-13/h4-8,10,12,14-16,18-20H,3,9,11H2,1-2H3/q+1/b17-10+/t12?,14-,15+,16-/m1/s1
InChIKeyXUHIHZSNFZILNQ-WUVJNCCXSA-N
MW358.35 g/mol
LogP1.83
Rot. Bonds11

About ethoxy-oxo-[(4R,5R,6S,7E)-4,5,6-trihydroxy-7-phenylmethoxyiminoheptan-2-yl]phosphanium

ethoxy-oxo-[(4R,5R,6S,7E)-4,5,6-trihydroxy-7-phenylmethoxyiminoheptan-2-yl]phosphanium (PubChem CID 134524632) has the molecular formula C16H25NO6P+ and a molecular weight of 358.35 g/mol. Its IUPAC name is ethoxy-oxo-[(4R,5R,6S,7E)-4,5,6-trihydroxy-7-phenylmethoxyiminoheptan-2-yl]phosphanium.

Molecular Properties

Compound Nameethoxy-oxo-[(4R,5R,6S,7E)-4,5,6-trihydroxy-7-phenylmethoxyiminoheptan-2-yl]phosphanium
PubChem CID134524632
Molecular FormulaC16H25NO6P+
Molecular Weight358.35 g/mol
Exact Mass358.14
IUPAC Nameethoxy-oxo-[(4R,5R,6S,7E)-4,5,6-trihydroxy-7-phenylmethoxyiminoheptan-2-yl]phosphanium
SMILESCCO[P+](=O)C(C)C[C@@H](O)[C@@H](O)[C@@H](O)/C=N/OCc1ccccc1
InChIInChI=1S/C16H25NO6P/c1-3-23-24(21)12(2)9-14(18)16(20)15(19)10-17-22-11-13-7-5-4-6-8-13/h4-8,10,12,14-16,18-20H,3,9,11H2,1-2H3/q+1/b17-10+/t12?,14-,15+,16-/m1/s1
InChIKeyXUHIHZSNFZILNQ-WUVJNCCXSA-N
XLogP1.83
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethyl (4E)-2-ethyl-3-hydroxy-4-phenylmethoxyiminobutanoate
CID 177474730
ethyl (2S,3S,4E)-3-hydroxy-4-phenylmethoxyimino-2-phenylsulfanylbutanoate
CID 25018944
(E)-2-methyl-4-phenyl-N-phenylmethoxybutan-1-imine
CID 134997291
ethyl 3-(phenylmethoxyiminomethyl)heptanoate
CID 86614681
ethyl 3-[(E)-phenylmethoxyiminomethyl]heptanoate
CID 87854885
(2R,3S,4S,5Z)-1,3,4-trimethoxy-5-phenylmethoxyiminopentan-2-ol
CID 118336506
(3Z)-1-(tert-butylamino)-3-phenylmethoxyiminopropan-2-ol
CID 100938616
ethyl (E)-4-hydroxy-4-phenyl-3-[(E)-phenylmethoxyiminomethyl]-2-propan-2-ylbut-2-enoate
CID 177444014
(2R,3R,4R,5E)-1,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-2-ol
CID 10602182
methyl-oxo-phenylmethoxyphosphanium
CID 20566646
(4E)-4-phenylmethoxyiminobutan-2-one
CID 58674288
N'-[(Z)-phenylmethoxyiminomethyl]ethanimidamide
CID 155392690

Frequently Asked Questions

What is the IUPAC name of ethoxy-oxo-[(4R,5R,6S,7E)-4,5,6-trihydroxy-7-phenylmethoxyiminoheptan-2-yl]phosphanium?
The IUPAC name of ethoxy-oxo-[(4R,5R,6S,7E)-4,5,6-trihydroxy-7-phenylmethoxyiminoheptan-2-yl]phosphanium (CID 134524632) is ethoxy-oxo-[(4R,5R,6S,7E)-4,5,6-trihydroxy-7-phenylmethoxyiminoheptan-2-yl]phosphanium.
What is the SMILES notation for ethoxy-oxo-[(4R,5R,6S,7E)-4,5,6-trihydroxy-7-phenylmethoxyiminoheptan-2-yl]phosphanium?
The canonical SMILES for ethoxy-oxo-[(4R,5R,6S,7E)-4,5,6-trihydroxy-7-phenylmethoxyiminoheptan-2-yl]phosphanium is CCO[P+](=O)C(C)C[C@@H](O)[C@@H](O)[C@@H](O)/C=N/OCc1ccccc1.
What is the InChIKey of ethoxy-oxo-[(4R,5R,6S,7E)-4,5,6-trihydroxy-7-phenylmethoxyiminoheptan-2-yl]phosphanium?
The InChIKey is XUHIHZSNFZILNQ-WUVJNCCXSA-N. The full InChI is InChI=1S/C16H25NO6P/c1-3-23-24(21)12(2)9-14(18)16(20)15(19)10-17-22-11-13-7-5-4-6-8-13/h4-8,10,12,14-16,18-20H,3,9,11H2,1-2H3/q+1/b17-10+/t12?,14-,15+,16-/m1/s1.
What are the key properties of ethoxy-oxo-[(4R,5R,6S,7E)-4,5,6-trihydroxy-7-phenylmethoxyiminoheptan-2-yl]phosphanium?
ethoxy-oxo-[(4R,5R,6S,7E)-4,5,6-trihydroxy-7-phenylmethoxyiminoheptan-2-yl]phosphanium has a molecular weight of 358.35 g/mol, XLogP of 1.83, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-oxo-[(4R,5R,6S,7E)-4,5,6-trihydroxy-7-phenylmethoxyiminoheptan-2-yl]phosphanium is sourced from PubChem (CID 134524632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).