prop-2-enyl-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]azanium

C9H18NO5+ — CID 7434654

IUPACprop-2-enyl-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]azanium
SMILESC=CC[NH2+][C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H17NO5/c1-2-3-10-9-8(14)7(13)6(12)5(4-11)15-9/h2,5-14H,1,3-4H2/p+1/t5-,6+,7+,8+,9-/m0/s1
InChIKeyHYHFUUJWYZCDBC-CBHQDSPSSA-O
MW220.24 g/mol
LogP-3.46
Rot. Bonds4

About prop-2-enyl-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]azanium

prop-2-enyl-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]azanium (PubChem CID 7434654) has the molecular formula C9H18NO5+ and a molecular weight of 220.24 g/mol. Its IUPAC name is prop-2-enyl-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]azanium.

Molecular Properties

Compound Nameprop-2-enyl-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]azanium
PubChem CID7434654
Molecular FormulaC9H18NO5+
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Nameprop-2-enyl-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]azanium
SMILESC=CC[NH2+][C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H17NO5/c1-2-3-10-9-8(14)7(13)6(12)5(4-11)15-9/h2,5-14H,1,3-4H2/p+1/t5-,6+,7+,8+,9-/m0/s1
InChIKeyHYHFUUJWYZCDBC-CBHQDSPSSA-O
XLogP-3.46
TPSA106.76 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-3.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]azanium
CID 6593882
2-(hydroxymethyl)-6-prop-2-enyloxane-3,4,5-triol
CID 14259408
2-(hydroxymethyl)-6-prop-2-enyloxane-3,4,5-triol
CID 162127183
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4,5-triol
CID 23250805
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]azanium?
The IUPAC name of prop-2-enyl-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]azanium (CID 7434654) is prop-2-enyl-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]azanium.
What is the SMILES notation for prop-2-enyl-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]azanium?
The canonical SMILES for prop-2-enyl-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]azanium is C=CC[NH2+][C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of prop-2-enyl-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]azanium?
The InChIKey is HYHFUUJWYZCDBC-CBHQDSPSSA-O. The full InChI is InChI=1S/C9H17NO5/c1-2-3-10-9-8(14)7(13)6(12)5(4-11)15-9/h2,5-14H,1,3-4H2/p+1/t5-,6+,7+,8+,9-/m0/s1.
What are the key properties of prop-2-enyl-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]azanium?
prop-2-enyl-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]azanium has a molecular weight of 220.24 g/mol, XLogP of -3.46, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]azanium is sourced from PubChem (CID 7434654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).