(3R,4S,5R,6S)-5-methoxy-6-methyl-6-prop-1-en-2-yloxane-2,3,4-triol

C10H18O5 — CID 163911039

IUPAC(3R,4S,5R,6S)-5-methoxy-6-methyl-6-prop-1-en-2-yloxane-2,3,4-triol
SMILESC=C(C)[C@]1(C)OC(O)[C@H](O)[C@H](O)[C@H]1OC
InChIInChI=1S/C10H18O5/c1-5(2)10(3)8(14-4)6(11)7(12)9(13)15-10/h6-9,11-13H,1H2,2-4H3/t6-,7+,8+,9?,10-/m0/s1
InChIKeyQSCDBUHETIFXOU-GWSMWCQVSA-N
MW218.25 g/mol
LogP-0.59
Rot. Bonds2

About (3R,4S,5R,6S)-5-methoxy-6-methyl-6-prop-1-en-2-yloxane-2,3,4-triol

(3R,4S,5R,6S)-5-methoxy-6-methyl-6-prop-1-en-2-yloxane-2,3,4-triol (PubChem CID 163911039) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is (3R,4S,5R,6S)-5-methoxy-6-methyl-6-prop-1-en-2-yloxane-2,3,4-triol.

Molecular Properties

Compound Name(3R,4S,5R,6S)-5-methoxy-6-methyl-6-prop-1-en-2-yloxane-2,3,4-triol
PubChem CID163911039
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name(3R,4S,5R,6S)-5-methoxy-6-methyl-6-prop-1-en-2-yloxane-2,3,4-triol
SMILESC=C(C)[C@]1(C)OC(O)[C@H](O)[C@H](O)[C@H]1OC
InChIInChI=1S/C10H18O5/c1-5(2)10(3)8(14-4)6(11)7(12)9(13)15-10/h6-9,11-13H,1H2,2-4H3/t6-,7+,8+,9?,10-/m0/s1
InChIKeyQSCDBUHETIFXOU-GWSMWCQVSA-N
XLogP-0.59
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6S)-5-methoxy-6-methyl-6-prop-1-en-2-yloxane-2,3,4-triol?
The IUPAC name of (3R,4S,5R,6S)-5-methoxy-6-methyl-6-prop-1-en-2-yloxane-2,3,4-triol (CID 163911039) is (3R,4S,5R,6S)-5-methoxy-6-methyl-6-prop-1-en-2-yloxane-2,3,4-triol.
What is the SMILES notation for (3R,4S,5R,6S)-5-methoxy-6-methyl-6-prop-1-en-2-yloxane-2,3,4-triol?
The canonical SMILES for (3R,4S,5R,6S)-5-methoxy-6-methyl-6-prop-1-en-2-yloxane-2,3,4-triol is C=C(C)[C@]1(C)OC(O)[C@H](O)[C@H](O)[C@H]1OC.
What is the InChIKey of (3R,4S,5R,6S)-5-methoxy-6-methyl-6-prop-1-en-2-yloxane-2,3,4-triol?
The InChIKey is QSCDBUHETIFXOU-GWSMWCQVSA-N. The full InChI is InChI=1S/C10H18O5/c1-5(2)10(3)8(14-4)6(11)7(12)9(13)15-10/h6-9,11-13H,1H2,2-4H3/t6-,7+,8+,9?,10-/m0/s1.
What are the key properties of (3R,4S,5R,6S)-5-methoxy-6-methyl-6-prop-1-en-2-yloxane-2,3,4-triol?
(3R,4S,5R,6S)-5-methoxy-6-methyl-6-prop-1-en-2-yloxane-2,3,4-triol has a molecular weight of 218.25 g/mol, XLogP of -0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6S)-5-methoxy-6-methyl-6-prop-1-en-2-yloxane-2,3,4-triol is sourced from PubChem (CID 163911039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).