2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium

C16H31NO10P+ — CID 164788388

IUPAC2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium
SMILESCC(=O)NC1C(OCCOC(C)(C)C)OC(COCCO[P+](=O)O)C(O)C1O
InChIInChI=1S/C16H30NO10P/c1-10(18)17-12-14(20)13(19)11(9-23-5-8-26-28(21)22)27-15(12)24-6-7-25-16(2,3)4/h11-15,19-20H,5-9H2,1-4H3,(H-,17,18,21,22)/p+1
InChIKeyRCLLIRQFIRDRNP-UHFFFAOYSA-O
MW428.40 g/mol
LogP-0.55
Rot. Bonds11

About 2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium

2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium (PubChem CID 164788388) has the molecular formula C16H31NO10P+ and a molecular weight of 428.40 g/mol. Its IUPAC name is 2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium
PubChem CID164788388
Molecular FormulaC16H31NO10P+
Molecular Weight428.40 g/mol
Exact Mass428.17
IUPAC Name2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium
SMILESCC(=O)NC1C(OCCOC(C)(C)C)OC(COCCO[P+](=O)O)C(O)C1O
InChIInChI=1S/C16H30NO10P/c1-10(18)17-12-14(20)13(19)11(9-23-5-8-26-28(21)22)27-15(12)24-6-7-25-16(2,3)4/h11-15,19-20H,5-9H2,1-4H3,(H-,17,18,21,22)/p+1
InChIKeyRCLLIRQFIRDRNP-UHFFFAOYSA-O
XLogP-0.55
TPSA153.01 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium?
The IUPAC name of 2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium (CID 164788388) is 2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium.
What is the SMILES notation for 2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium?
The canonical SMILES for 2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium is CC(=O)NC1C(OCCOC(C)(C)C)OC(COCCO[P+](=O)O)C(O)C1O.
What is the InChIKey of 2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium?
The InChIKey is RCLLIRQFIRDRNP-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H30NO10P/c1-10(18)17-12-14(20)13(19)11(9-23-5-8-26-28(21)22)27-15(12)24-6-7-25-16(2,3)4/h11-15,19-20H,5-9H2,1-4H3,(H-,17,18,21,22)/p+1.
What are the key properties of 2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium?
2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium has a molecular weight of 428.40 g/mol, XLogP of -0.55, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-acetamido-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 164788388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).