2-[5-amino-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-6-(2-hydroxyethoxymethyl)-5-methyl-3-(methylamino)oxan-4-ol

C19H38N2O10 — CID 59649144

IUPAC2-[5-amino-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-6-(2-hydroxyethoxymethyl)-5-methyl-3-(methylamino)oxan-4-ol
SMILESCNC1C(OC2C(COCCO)OC(OC)C(N)C2O)OC(COCCO)C(C)C1O
InChIInChI=1S/C19H38N2O10/c1-10-11(8-27-6-4-22)29-19(14(21-2)15(10)24)31-17-12(9-28-7-5-23)30-18(26-3)13(20)16(17)25/h10-19,21-25H,4-9,20H2,1-3H3
InChIKeyZJDNTEOVZICTRM-UHFFFAOYSA-N
MW454.52 g/mol
LogP-3.24
Rot. Bonds12

About 2-[5-amino-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-6-(2-hydroxyethoxymethyl)-5-methyl-3-(methylamino)oxan-4-ol

2-[5-amino-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-6-(2-hydroxyethoxymethyl)-5-methyl-3-(methylamino)oxan-4-ol (PubChem CID 59649144) has the molecular formula C19H38N2O10 and a molecular weight of 454.52 g/mol. Its IUPAC name is 2-[5-amino-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-6-(2-hydroxyethoxymethyl)-5-methyl-3-(methylamino)oxan-4-ol.

Molecular Properties

Compound Name2-[5-amino-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-6-(2-hydroxyethoxymethyl)-5-methyl-3-(methylamino)oxan-4-ol
PubChem CID59649144
Molecular FormulaC19H38N2O10
Molecular Weight454.52 g/mol
Exact Mass454.25
IUPAC Name2-[5-amino-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-6-(2-hydroxyethoxymethyl)-5-methyl-3-(methylamino)oxan-4-ol
SMILESCNC1C(OC2C(COCCO)OC(OC)C(N)C2O)OC(COCCO)C(C)C1O
InChIInChI=1S/C19H38N2O10/c1-10-11(8-27-6-4-22)29-19(14(21-2)15(10)24)31-17-12(9-28-7-5-23)30-18(26-3)13(20)16(17)25/h10-19,21-25H,4-9,20H2,1-3H3
InChIKeyZJDNTEOVZICTRM-UHFFFAOYSA-N
XLogP-3.24
TPSA174.35 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500454.52
LogP ≤ 5-3.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-6-(2-hydroxyethoxymethyl)-5-methyl-3-(methylamino)oxan-4-ol?
The IUPAC name of 2-[5-amino-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-6-(2-hydroxyethoxymethyl)-5-methyl-3-(methylamino)oxan-4-ol (CID 59649144) is 2-[5-amino-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-6-(2-hydroxyethoxymethyl)-5-methyl-3-(methylamino)oxan-4-ol.
What is the SMILES notation for 2-[5-amino-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-6-(2-hydroxyethoxymethyl)-5-methyl-3-(methylamino)oxan-4-ol?
The canonical SMILES for 2-[5-amino-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-6-(2-hydroxyethoxymethyl)-5-methyl-3-(methylamino)oxan-4-ol is CNC1C(OC2C(COCCO)OC(OC)C(N)C2O)OC(COCCO)C(C)C1O.
What is the InChIKey of 2-[5-amino-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-6-(2-hydroxyethoxymethyl)-5-methyl-3-(methylamino)oxan-4-ol?
The InChIKey is ZJDNTEOVZICTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O10/c1-10-11(8-27-6-4-22)29-19(14(21-2)15(10)24)31-17-12(9-28-7-5-23)30-18(26-3)13(20)16(17)25/h10-19,21-25H,4-9,20H2,1-3H3.
What are the key properties of 2-[5-amino-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-6-(2-hydroxyethoxymethyl)-5-methyl-3-(methylamino)oxan-4-ol?
2-[5-amino-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-6-(2-hydroxyethoxymethyl)-5-methyl-3-(methylamino)oxan-4-ol has a molecular weight of 454.52 g/mol, XLogP of -3.24, 12 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-6-(2-hydroxyethoxymethyl)-5-methyl-3-(methylamino)oxan-4-ol is sourced from PubChem (CID 59649144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).