(2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxyoxan-3-ol

C10H18O5 — CID 170851169

IUPAC(2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxyoxan-3-ol
SMILESC=CCO[C@@H]1C[C@H](O)[C@@H](CO)O[C@@H]1OC
InChIInChI=1S/C10H18O5/c1-3-4-14-8-5-7(12)9(6-11)15-10(8)13-2/h3,7-12H,1,4-6H2,2H3/t7-,8+,9+,10-/m0/s1
InChIKeyLYGWZIXMDBKRNW-JLIMGVALSA-N
MW218.25 g/mol
LogP-0.33
Rot. Bonds5

About (2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxyoxan-3-ol

(2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxyoxan-3-ol (PubChem CID 170851169) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxyoxan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxyoxan-3-ol
PubChem CID170851169
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name(2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxyoxan-3-ol
SMILESC=CCO[C@@H]1C[C@H](O)[C@@H](CO)O[C@@H]1OC
InChIInChI=1S/C10H18O5/c1-3-4-14-8-5-7(12)9(6-11)15-10(8)13-2/h3,7-12H,1,4-6H2,2H3/t7-,8+,9+,10-/m0/s1
InChIKeyLYGWZIXMDBKRNW-JLIMGVALSA-N
XLogP-0.33
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R,5S)-5-(hydroxymethyl)-2-methoxy-4-prop-2-enoxyoxolan-3-ol
CID 639388
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(prop-2-enoxy)oxan-4-ol
CID 11821811
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxyoxane-3,4-diol
CID 11806580
2-(hydroxymethyl)-6-methoxy-3,5-bis(prop-2-enoxy)oxan-4-ol
CID 73117029
actinium;[(2R,5R)-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]azanide
CID 59928041
6-(hydroxymethyl)-2,5-dimethoxyoxan-3-ol
CID 146226308
(2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-methyloxan-3-ol
CID 11137649
[(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-prop-2-enoxyoxan-2-yl]methanol
CID 11010775
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(prop-2-enoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
CID 102401700
(2R,3R,4R)-2-(hydroxymethyl)-5-prop-2-enoxyoxolane-3,4-diol
CID 66709788
(2R,3S,4S,5R)-2-(hydroxymethyl)-5,6-bis(prop-2-enoxy)oxane-3,4-diol
CID 67610821
2-ethoxy-6-(hydroxymethyl)oxane-3,5-diol
CID 18974249

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxyoxan-3-ol?
The IUPAC name of (2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxyoxan-3-ol (CID 170851169) is (2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxyoxan-3-ol.
What is the SMILES notation for (2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxyoxan-3-ol?
The canonical SMILES for (2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxyoxan-3-ol is C=CCO[C@@H]1C[C@H](O)[C@@H](CO)O[C@@H]1OC.
What is the InChIKey of (2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxyoxan-3-ol?
The InChIKey is LYGWZIXMDBKRNW-JLIMGVALSA-N. The full InChI is InChI=1S/C10H18O5/c1-3-4-14-8-5-7(12)9(6-11)15-10(8)13-2/h3,7-12H,1,4-6H2,2H3/t7-,8+,9+,10-/m0/s1.
What are the key properties of (2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxyoxan-3-ol?
(2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxyoxan-3-ol has a molecular weight of 218.25 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxyoxan-3-ol is sourced from PubChem (CID 170851169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).