(2R,3S)-4-[2-methoxyethyl-[(2S,3R)-2,3,4-trihydroxybutyl]amino]butane-1,2,3-triol

C11H25NO7 — CID 122500925

IUPAC(2R,3S)-4-[2-methoxyethyl-[(2S,3R)-2,3,4-trihydroxybutyl]amino]butane-1,2,3-triol
SMILESCOCCN(C[C@H](O)[C@H](O)CO)C[C@H](O)[C@H](O)CO
InChIInChI=1S/C11H25NO7/c1-19-3-2-12(4-8(15)10(17)6-13)5-9(16)11(18)7-14/h8-11,13-18H,2-7H2,1H3/t8-,9-,10+,11+/m0/s1
InChIKeyMBNCHWGHUYYANQ-UKKRHICBSA-N
MW283.32 g/mol
LogP-3.64
Rot. Bonds11

About (2R,3S)-4-[2-methoxyethyl-[(2S,3R)-2,3,4-trihydroxybutyl]amino]butane-1,2,3-triol

(2R,3S)-4-[2-methoxyethyl-[(2S,3R)-2,3,4-trihydroxybutyl]amino]butane-1,2,3-triol (PubChem CID 122500925) has the molecular formula C11H25NO7 and a molecular weight of 283.32 g/mol. Its IUPAC name is (2R,3S)-4-[2-methoxyethyl-[(2S,3R)-2,3,4-trihydroxybutyl]amino]butane-1,2,3-triol.

Molecular Properties

Compound Name(2R,3S)-4-[2-methoxyethyl-[(2S,3R)-2,3,4-trihydroxybutyl]amino]butane-1,2,3-triol
PubChem CID122500925
Molecular FormulaC11H25NO7
Molecular Weight283.32 g/mol
Exact Mass283.16
IUPAC Name(2R,3S)-4-[2-methoxyethyl-[(2S,3R)-2,3,4-trihydroxybutyl]amino]butane-1,2,3-triol
SMILESCOCCN(C[C@H](O)[C@H](O)CO)C[C@H](O)[C@H](O)CO
InChIInChI=1S/C11H25NO7/c1-19-3-2-12(4-8(15)10(17)6-13)5-9(16)11(18)7-14/h8-11,13-18H,2-7H2,1H3/t8-,9-,10+,11+/m0/s1
InChIKeyMBNCHWGHUYYANQ-UKKRHICBSA-N
XLogP-3.64
TPSA133.85 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.32
LogP ≤ 5-3.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze (2R,3S)-4-[2-methoxyethyl-[(2S,3R)-2,3,4-trihydroxybutyl]amino]butane-1,2,3-triol with MolForge

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Related Compounds

(2R,3R,4R,5S)-6-[3-methoxypropyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]hexane-1,2,3,4,5-pentol
CID 122500972
3-[bis(2-methoxyethyl)amino]propane-1,2-diol
CID 78907099
1-[bis(2-methoxyethyl)amino]propan-2-ol
CID 59693413
(2R)-1-[ethyl(2-methoxyethyl)amino]propan-2-ol
CID 103935037
3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropan-1-ol
CID 115872995
(2R,3R,4R,5S)-6-[2-methoxyethyl(3-phenoxypropyl)amino]hexane-1,2,3,4,5-pentol
CID 126497842
1-amino-3-[ethyl(2-methoxyethyl)amino]propan-2-ol
CID 61447893
(2R,3R,4R,5S)-6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]hexane-1,2,3,4,5-pentol
CID 171850501
1-[bis(2-methoxyethyl)amino]-3-(methylamino)propan-2-ol
CID 61418429
1-(3,5-dimethylphenyl)-2-[ethyl(2-methoxyethyl)amino]ethanol
CID 79038389
(2R,3R,4R,5S)-6-[2-[2-[2-[2-[2-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hexane-1,2,3,4,5-pentol
CID 171850569
1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol
CID 79038886

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-[2-methoxyethyl-[(2S,3R)-2,3,4-trihydroxybutyl]amino]butane-1,2,3-triol?
The IUPAC name of (2R,3S)-4-[2-methoxyethyl-[(2S,3R)-2,3,4-trihydroxybutyl]amino]butane-1,2,3-triol (CID 122500925) is (2R,3S)-4-[2-methoxyethyl-[(2S,3R)-2,3,4-trihydroxybutyl]amino]butane-1,2,3-triol.
What is the SMILES notation for (2R,3S)-4-[2-methoxyethyl-[(2S,3R)-2,3,4-trihydroxybutyl]amino]butane-1,2,3-triol?
The canonical SMILES for (2R,3S)-4-[2-methoxyethyl-[(2S,3R)-2,3,4-trihydroxybutyl]amino]butane-1,2,3-triol is COCCN(C[C@H](O)[C@H](O)CO)C[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S)-4-[2-methoxyethyl-[(2S,3R)-2,3,4-trihydroxybutyl]amino]butane-1,2,3-triol?
The InChIKey is MBNCHWGHUYYANQ-UKKRHICBSA-N. The full InChI is InChI=1S/C11H25NO7/c1-19-3-2-12(4-8(15)10(17)6-13)5-9(16)11(18)7-14/h8-11,13-18H,2-7H2,1H3/t8-,9-,10+,11+/m0/s1.
What are the key properties of (2R,3S)-4-[2-methoxyethyl-[(2S,3R)-2,3,4-trihydroxybutyl]amino]butane-1,2,3-triol?
(2R,3S)-4-[2-methoxyethyl-[(2S,3R)-2,3,4-trihydroxybutyl]amino]butane-1,2,3-triol has a molecular weight of 283.32 g/mol, XLogP of -3.64, 11 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-[2-methoxyethyl-[(2S,3R)-2,3,4-trihydroxybutyl]amino]butane-1,2,3-triol is sourced from PubChem (CID 122500925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).