6-(aminomethyl)-2-methoxyoxane-3,4-diol;ethane

C9H21NO4 — CID 142004285

IUPAC6-(aminomethyl)-2-methoxyoxane-3,4-diol;ethane
SMILESCC.COC1OC(CN)CC(O)C1O
InChIInChI=1S/C7H15NO4.C2H6/c1-11-7-6(10)5(9)2-4(3-8)12-7;1-2/h4-7,9-10H,2-3,8H2,1H3;1-2H3
InChIKeyPXRNKPWCLZWKJI-UHFFFAOYSA-N
MW207.27 g/mol
LogP-0.55
Rot. Bonds2

About 6-(aminomethyl)-2-methoxyoxane-3,4-diol;ethane

6-(aminomethyl)-2-methoxyoxane-3,4-diol;ethane (PubChem CID 142004285) has the molecular formula C9H21NO4 and a molecular weight of 207.27 g/mol. Its IUPAC name is 6-(aminomethyl)-2-methoxyoxane-3,4-diol;ethane.

Molecular Properties

Compound Name6-(aminomethyl)-2-methoxyoxane-3,4-diol;ethane
PubChem CID142004285
Molecular FormulaC9H21NO4
Molecular Weight207.27 g/mol
Exact Mass207.15
IUPAC Name6-(aminomethyl)-2-methoxyoxane-3,4-diol;ethane
SMILESCC.COC1OC(CN)CC(O)C1O
InChIInChI=1S/C7H15NO4.C2H6/c1-11-7-6(10)5(9)2-4(3-8)12-7;1-2/h4-7,9-10H,2-3,8H2,1H3;1-2H3
InChIKeyPXRNKPWCLZWKJI-UHFFFAOYSA-N
XLogP-0.55
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S,4S,6R)-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 93090180
[(2S,5R,6R)-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl acetate
CID 146385304
methyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate
CID 67990824
(2S,3S,4S,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2R,3S,4R,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 129120159
(3S,6S)-3,6-bis(hydroxymethyl)-2-methoxyoxan-4-ol
CID 143771593
(2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol;hydrochloride
CID 131842478
4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid
CID 118519228
6-(aminomethyl)-2-(4,6-diamino-2-hydroxy-3-methoxycyclohexyl)oxyoxan-3-ol
CID 166506840
(1S,2R,3R,4S,6R)-4,6-diamino-3-[(2R,3R,4S,6S)-3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxycyclohexane-1,2-diol
CID 12900028
(4S,5S,6R)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol
CID 59109229
(2R,3R,4S,5S,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol
CID 131089341
(4,5-dihydroxy-6-methoxyoxan-2-yl) formate
CID 89225737

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-methoxyoxane-3,4-diol;ethane?
The IUPAC name of 6-(aminomethyl)-2-methoxyoxane-3,4-diol;ethane (CID 142004285) is 6-(aminomethyl)-2-methoxyoxane-3,4-diol;ethane.
What is the SMILES notation for 6-(aminomethyl)-2-methoxyoxane-3,4-diol;ethane?
The canonical SMILES for 6-(aminomethyl)-2-methoxyoxane-3,4-diol;ethane is CC.COC1OC(CN)CC(O)C1O.
What is the InChIKey of 6-(aminomethyl)-2-methoxyoxane-3,4-diol;ethane?
The InChIKey is PXRNKPWCLZWKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4.C2H6/c1-11-7-6(10)5(9)2-4(3-8)12-7;1-2/h4-7,9-10H,2-3,8H2,1H3;1-2H3.
What are the key properties of 6-(aminomethyl)-2-methoxyoxane-3,4-diol;ethane?
6-(aminomethyl)-2-methoxyoxane-3,4-diol;ethane has a molecular weight of 207.27 g/mol, XLogP of -0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-methoxyoxane-3,4-diol;ethane is sourced from PubChem (CID 142004285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).