(2R,3R,4R,5R,6S)-5-amino-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol

C9H17NO5 — CID 165180114

IUPAC(2R,3R,4R,5R,6S)-5-amino-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol
SMILESC=CCO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N
InChIInChI=1S/C9H17NO5/c1-2-3-14-9-6(10)8(13)7(12)5(4-11)15-9/h2,5-9,11-13H,1,3-4,10H2/t5-,6-,7+,8-,9+/m1/s1
InChIKeyHWMNNLGUQVZSHU-ZEBDFXRSSA-N
MW219.24 g/mol
LogP-2.04
Rot. Bonds4

About (2R,3R,4R,5R,6S)-5-amino-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol

(2R,3R,4R,5R,6S)-5-amino-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol (PubChem CID 165180114) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is (2R,3R,4R,5R,6S)-5-amino-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6S)-5-amino-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol
PubChem CID165180114
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name(2R,3R,4R,5R,6S)-5-amino-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol
SMILESC=CCO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N
InChIInChI=1S/C9H17NO5/c1-2-3-14-9-6(10)8(13)7(12)5(4-11)15-9/h2,5-9,11-13H,1,3-4,10H2/t5-,6-,7+,8-,9+/m1/s1
InChIKeyHWMNNLGUQVZSHU-ZEBDFXRSSA-N
XLogP-2.04
TPSA105.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-2.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R)-2-(hydroxymethyl)-5-prop-2-enoxyoxolane-3,4-diol
CID 66709788
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4,5-triol
CID 23250805
(2R,3S,4S,5R)-2-(hydroxymethyl)-5,6-bis(prop-2-enoxy)oxane-3,4-diol
CID 67610821
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-prop-2-enoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
CID 101264112
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-prop-2-enoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 101264111
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67874943
6-[[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 163093840
(2R,3S,4S,5S,6R)-5-amino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 54346230
(2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 13135344
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67157179
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxyoxane-3,4-diol
CID 11806580
(2R,3S,4R,5R,6R)-5-amino-6-butoxy-2-(hydroxymethyl)oxane-3,4-diol
CID 10879084

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6S)-5-amino-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R,6S)-5-amino-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol (CID 165180114) is (2R,3R,4R,5R,6S)-5-amino-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R,6S)-5-amino-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R,6S)-5-amino-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol is C=CCO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N.
What is the InChIKey of (2R,3R,4R,5R,6S)-5-amino-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol?
The InChIKey is HWMNNLGUQVZSHU-ZEBDFXRSSA-N. The full InChI is InChI=1S/C9H17NO5/c1-2-3-14-9-6(10)8(13)7(12)5(4-11)15-9/h2,5-9,11-13H,1,3-4,10H2/t5-,6-,7+,8-,9+/m1/s1.
What are the key properties of (2R,3R,4R,5R,6S)-5-amino-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol?
(2R,3R,4R,5R,6S)-5-amino-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol has a molecular weight of 219.24 g/mol, XLogP of -2.04, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6S)-5-amino-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol is sourced from PubChem (CID 165180114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).