(3,9-dioxo-3-phenoxy-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecan-9-yl)-phenylazanide

C17H18NO7P2- — CID 171069326

IUPAC(3,9-dioxo-3-phenoxy-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecan-9-yl)-phenylazanide
SMILESO=P1([N-]c2ccccc2)OCC2(CO1)COP(=O)(Oc1ccccc1)OC2
InChIInChI=1S/C17H18NO7P2/c19-26(18-15-7-3-1-4-8-15)21-11-17(12-22-26)13-23-27(20,24-14-17)25-16-9-5-2-6-10-16/h1-10H,11-14H2/q-1
InChIKeyKICFXABTEJZDTD-UHFFFAOYSA-N
MW410.28 g/mol
LogP5.07
Rot. Bonds4

About (3,9-dioxo-3-phenoxy-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecan-9-yl)-phenylazanide

(3,9-dioxo-3-phenoxy-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecan-9-yl)-phenylazanide (PubChem CID 171069326) has the molecular formula C17H18NO7P2- and a molecular weight of 410.28 g/mol. Its IUPAC name is (3,9-dioxo-3-phenoxy-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecan-9-yl)-phenylazanide.

Molecular Properties

Compound Name(3,9-dioxo-3-phenoxy-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecan-9-yl)-phenylazanide
PubChem CID171069326
Molecular FormulaC17H18NO7P2-
Molecular Weight410.28 g/mol
Exact Mass410.06
IUPAC Name(3,9-dioxo-3-phenoxy-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecan-9-yl)-phenylazanide
SMILESO=P1([N-]c2ccccc2)OCC2(CO1)COP(=O)(Oc1ccccc1)OC2
InChIInChI=1S/C17H18NO7P2/c19-26(18-15-7-3-1-4-8-15)21-11-17(12-22-26)13-23-27(20,24-14-17)25-16-9-5-2-6-10-16/h1-10H,11-14H2/q-1
InChIKeyKICFXABTEJZDTD-UHFFFAOYSA-N
XLogP5.07
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.28
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

3-phenoxy-1,5-dihydro-2,4,3lambda5-benzodioxaphosphepine 3-oxide
CID 13459942
4,4,5,5-tetramethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide
CID 23416155
4,5-dimethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide
CID 23418629
2-[[3-(1,3-dioxoisoindol-2-yl)oxy-3,9-dioxo-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecan-9-yl]oxy]isoindole-1,3-dione
CID 130416763
6-ethenyl-2-phenoxy-4H-1,3,2λ5-dioxaphosphinine 2-oxide
CID 142711376
3,9-bis(1-phenylethyl)-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide
CID 23546493
(2S,4R)-4-methyl-2-phenoxy-1,3,2λ5-oxazaphosphinane 2-oxide
CID 125493266
6-methyl-2-phenoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide
CID 73229129
(2R,4R)-4-methyl-2-phenoxy-1,3,2λ5-oxazaphosphinane 2-oxide
CID 125493267
(2S,4S,5R)-5-bromo-2-phenoxy-4-phenyl-1,3,2λ5-dioxaphosphepane 2-oxide
CID 10915953
11-phenoxybenzo[d][1,3,6,2]benzodioxathiaphosphocine 11-oxide
CID 172701636
12-(2,3-dimethylphenoxy)-7,11,13,16-tetraoxa-12lambda5-phosphadispiro[5.2.59.26]hexadecane 12-oxide
CID 11326525

Frequently Asked Questions

What is the IUPAC name of (3,9-dioxo-3-phenoxy-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecan-9-yl)-phenylazanide?
The IUPAC name of (3,9-dioxo-3-phenoxy-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecan-9-yl)-phenylazanide (CID 171069326) is (3,9-dioxo-3-phenoxy-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecan-9-yl)-phenylazanide.
What is the SMILES notation for (3,9-dioxo-3-phenoxy-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecan-9-yl)-phenylazanide?
The canonical SMILES for (3,9-dioxo-3-phenoxy-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecan-9-yl)-phenylazanide is O=P1([N-]c2ccccc2)OCC2(CO1)COP(=O)(Oc1ccccc1)OC2.
What is the InChIKey of (3,9-dioxo-3-phenoxy-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecan-9-yl)-phenylazanide?
The InChIKey is KICFXABTEJZDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18NO7P2/c19-26(18-15-7-3-1-4-8-15)21-11-17(12-22-26)13-23-27(20,24-14-17)25-16-9-5-2-6-10-16/h1-10H,11-14H2/q-1.
What are the key properties of (3,9-dioxo-3-phenoxy-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecan-9-yl)-phenylazanide?
(3,9-dioxo-3-phenoxy-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecan-9-yl)-phenylazanide has a molecular weight of 410.28 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,9-dioxo-3-phenoxy-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecan-9-yl)-phenylazanide is sourced from PubChem (CID 171069326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).