CID 57158222

C16H32N2O8P2 — CID 57158222

IUPAC—
SMILESCC(N1CCOCCOCCN(C(C)P(=O)=O)CCOCCOCC1)P(=O)=O
InChIInChI=1S/C16H32N2O8P2/c1-15(27(19)20)17-3-7-23-11-13-25-9-5-18(16(2)28(21)22)6-10-26-14-12-24-8-4-17/h15-16H,3-14H2,1-2H3
InChIKeyNODCDCBRWZPTEL-UHFFFAOYSA-N
MW442.39 g/mol
LogP1.71
Rot. Bonds4

About CID 57158222

CID 57158222 (PubChem CID 57158222) has the molecular formula C16H32N2O8P2 and a molecular weight of 442.39 g/mol.

Molecular Properties

Compound NameCID 57158222
PubChem CID57158222
Molecular FormulaC16H32N2O8P2
Molecular Weight442.39 g/mol
Exact Mass442.16
IUPAC Name—
SMILESCC(N1CCOCCOCCN(C(C)P(=O)=O)CCOCCOCC1)P(=O)=O
InChIInChI=1S/C16H32N2O8P2/c1-15(27(19)20)17-3-7-23-11-13-25-9-5-18(16(2)28(21)22)6-10-26-14-12-24-8-4-17/h15-16H,3-14H2,1-2H3
InChIKeyNODCDCBRWZPTEL-UHFFFAOYSA-N
XLogP1.71
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.39
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-[16-(1-carboxyethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propanoic acid
CID 15241477
fluoromethane;4-propan-2-ylmorpholine
CID 177187231
3-methyl-2-morpholin-4-ylbutanoic acid
CID 43104020
silver 1-morpholin-4-ylethanethiol
CID 19374206
methyl (2R)-3-methyl-2-morpholin-4-ylbutanoate
CID 30031078
1,1-dimorpholin-4-ylpropan-2-ol
CID 141196639
4-(1-methylsulfinylpropan-2-yl)morpholine
CID 173186907
bis(2-morpholin-4-ylpropanamide);hydrate
CID 175797150
4-(1-propan-2-yloxypropan-2-yl)morpholine
CID 164739188
4-[3-(4-methylpiperazin-1-yl)butan-2-yl]morpholine
CID 167278501
4-propan-2-yl-1,4-oxazepane;hydrate
CID 176712925
4-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine
CID 90180655

Frequently Asked Questions

What is the IUPAC name of CID 57158222?
The IUPAC name of CID 57158222 (CID 57158222) is not available.
What is the SMILES notation for CID 57158222?
The canonical SMILES for CID 57158222 is CC(N1CCOCCOCCN(C(C)P(=O)=O)CCOCCOCC1)P(=O)=O.
What is the InChIKey of CID 57158222?
The InChIKey is NODCDCBRWZPTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O8P2/c1-15(27(19)20)17-3-7-23-11-13-25-9-5-18(16(2)28(21)22)6-10-26-14-12-24-8-4-17/h15-16H,3-14H2,1-2H3.
What are the key properties of CID 57158222?
CID 57158222 has a molecular weight of 442.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57158222 is sourced from PubChem (CID 57158222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).