(2R,3R,4S,5R)-2-methyl-6-pent-4-enoxyoxane-3,4,5-triol

C11H20O5 — CID 121217017

IUPAC(2R,3R,4S,5R)-2-methyl-6-pent-4-enoxyoxane-3,4,5-triol
SMILESC=CCCCOC1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H20O5/c1-3-4-5-6-15-11-10(14)9(13)8(12)7(2)16-11/h3,7-14H,1,4-6H2,2H3/t7-,8+,9+,10-,11?/m1/s1
InChIKeyMCCANGQJXWVIBN-FNIJGJLWSA-N
MW232.28 g/mol
LogP-0.20
Rot. Bonds5

About (2R,3R,4S,5R)-2-methyl-6-pent-4-enoxyoxane-3,4,5-triol

(2R,3R,4S,5R)-2-methyl-6-pent-4-enoxyoxane-3,4,5-triol (PubChem CID 121217017) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-methyl-6-pent-4-enoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-methyl-6-pent-4-enoxyoxane-3,4,5-triol
PubChem CID121217017
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name(2R,3R,4S,5R)-2-methyl-6-pent-4-enoxyoxane-3,4,5-triol
SMILESC=CCCCOC1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H20O5/c1-3-4-5-6-15-11-10(14)9(13)8(12)7(2)16-11/h3,7-14H,1,4-6H2,2H3/t7-,8+,9+,10-,11?/m1/s1
InChIKeyMCCANGQJXWVIBN-FNIJGJLWSA-N
XLogP-0.20
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4R,5S)-5-methoxy-2-methyl-6-pent-4-enoxyoxane-3,4-diol
CID 10848008
(2S,3R,4R,5R,6S)-2-methyl-6-prop-2-enoxyoxane-3,4,5-triol
CID 134936569
(3R)-2-methyl-6-prop-2-enoxyoxane-3,4,5-triol
CID 160723234
(2S,3R,4S,5S,6R)-2-(3-methoxypropoxy)-6-methyloxane-3,4,5-triol
CID 163622719
2-methyl-6-(2-sulfanylethoxy)oxane-3,4,5-triol
CID 122463656
(2R,3R,4S,5R,6R)-2-heptoxy-6-methyloxane-3,4,5-triol
CID 102241828
(3S,4R,5S,6S)-2-dodecoxy-6-methyloxane-3,4,5-triol
CID 90849789
(2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-pent-4-enoxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol
CID 56683097
(2R,3S,4R,5S,6S)-2-(2-chloroethoxy)-6-methyloxane-3,4,5-triol
CID 102133392
(2R,3S,4R,5S,6S)-2-(2-bromoethoxy)-6-methyloxane-3,4,5-triol
CID 129411527
(3S,6R)-2-methyl-6-(3-methylbutoxy)oxane-3,4,5-triol
CID 153067799
(2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol
CID 90276853

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-methyl-6-pent-4-enoxyoxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R)-2-methyl-6-pent-4-enoxyoxane-3,4,5-triol (CID 121217017) is (2R,3R,4S,5R)-2-methyl-6-pent-4-enoxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R)-2-methyl-6-pent-4-enoxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R)-2-methyl-6-pent-4-enoxyoxane-3,4,5-triol is C=CCCCOC1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-methyl-6-pent-4-enoxyoxane-3,4,5-triol?
The InChIKey is MCCANGQJXWVIBN-FNIJGJLWSA-N. The full InChI is InChI=1S/C11H20O5/c1-3-4-5-6-15-11-10(14)9(13)8(12)7(2)16-11/h3,7-14H,1,4-6H2,2H3/t7-,8+,9+,10-,11?/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-methyl-6-pent-4-enoxyoxane-3,4,5-triol?
(2R,3R,4S,5R)-2-methyl-6-pent-4-enoxyoxane-3,4,5-triol has a molecular weight of 232.28 g/mol, XLogP of -0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-methyl-6-pent-4-enoxyoxane-3,4,5-triol is sourced from PubChem (CID 121217017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).