(6S)-6-[(Z)-2-amino-3-(methylamino)prop-2-enyl]-2-(hydroxymethyl)oxane-3,4-diol

C10H20N2O4 — CID 166480152

IUPAC(6S)-6-[(Z)-2-amino-3-(methylamino)prop-2-enyl]-2-(hydroxymethyl)oxane-3,4-diol
SMILESCN/C=C(\N)C[C@H]1CC(O)C(O)C(CO)O1
InChIInChI=1S/C10H20N2O4/c1-12-4-6(11)2-7-3-8(14)10(15)9(5-13)16-7/h4,7-10,12-15H,2-3,5,11H2,1H3/b6-4-/t7-,8?,9?,10?/m0/s1
InChIKeyKYBMRTMAJVQQBN-IPENFWTQSA-N
MW232.28 g/mol
LogP-1.73
Rot. Bonds4

About (6S)-6-[(Z)-2-amino-3-(methylamino)prop-2-enyl]-2-(hydroxymethyl)oxane-3,4-diol

(6S)-6-[(Z)-2-amino-3-(methylamino)prop-2-enyl]-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 166480152) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (6S)-6-[(Z)-2-amino-3-(methylamino)prop-2-enyl]-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(6S)-6-[(Z)-2-amino-3-(methylamino)prop-2-enyl]-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID166480152
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(6S)-6-[(Z)-2-amino-3-(methylamino)prop-2-enyl]-2-(hydroxymethyl)oxane-3,4-diol
SMILESCN/C=C(\N)C[C@H]1CC(O)C(O)C(CO)O1
InChIInChI=1S/C10H20N2O4/c1-12-4-6(11)2-7-3-8(14)10(15)9(5-13)16-7/h4,7-10,12-15H,2-3,5,11H2,1H3/b6-4-/t7-,8?,9?,10?/m0/s1
InChIKeyKYBMRTMAJVQQBN-IPENFWTQSA-N
XLogP-1.73
TPSA107.97 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-1.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol
CID 123931534
2-[(2S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N,N-diethylacetamide
CID 142342560
2-(hydroxymethyl)-6-pentyloxane-3,4-diol
CID 91192531
(3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 89372248
(2R,3R,4R)-2-(hydroxymethyl)-6-(2-methylbutyl)oxane-3,4-diol;2,2,2-trifluoroacetamide
CID 178016939
(E)-4-[(2S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-phenylbut-2-enoic acid
CID 53381942
(5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70641511
(2R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7057906
(2R,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 148934060
(3R,6R)-6-tert-butyl-2-(hydroxymethyl)oxane-3,4-diol
CID 58716425
(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 58863017
(2R,4R)-6-aminooxy-2-(hydroxymethyl)oxane-3,4-diol
CID 176683102

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[(Z)-2-amino-3-(methylamino)prop-2-enyl]-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (6S)-6-[(Z)-2-amino-3-(methylamino)prop-2-enyl]-2-(hydroxymethyl)oxane-3,4-diol (CID 166480152) is (6S)-6-[(Z)-2-amino-3-(methylamino)prop-2-enyl]-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (6S)-6-[(Z)-2-amino-3-(methylamino)prop-2-enyl]-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (6S)-6-[(Z)-2-amino-3-(methylamino)prop-2-enyl]-2-(hydroxymethyl)oxane-3,4-diol is CN/C=C(\N)C[C@H]1CC(O)C(O)C(CO)O1.
What is the InChIKey of (6S)-6-[(Z)-2-amino-3-(methylamino)prop-2-enyl]-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is KYBMRTMAJVQQBN-IPENFWTQSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-12-4-6(11)2-7-3-8(14)10(15)9(5-13)16-7/h4,7-10,12-15H,2-3,5,11H2,1H3/b6-4-/t7-,8?,9?,10?/m0/s1.
What are the key properties of (6S)-6-[(Z)-2-amino-3-(methylamino)prop-2-enyl]-2-(hydroxymethyl)oxane-3,4-diol?
(6S)-6-[(Z)-2-amino-3-(methylamino)prop-2-enyl]-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 232.28 g/mol, XLogP of -1.73, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(Z)-2-amino-3-(methylamino)prop-2-enyl]-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 166480152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).