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

C9H16O5 — CID 160723234

IUPAC(3R)-2-methyl-6-prop-2-enoxyoxane-3,4,5-triol
SMILESC=CCOC1OC(C)[C@H](O)C(O)C1O
InChIInChI=1S/C9H16O5/c1-3-4-13-9-8(12)7(11)6(10)5(2)14-9/h3,5-12H,1,4H2,2H3/t5?,6-,7?,8?,9?/m0/s1
InChIKeyJPOJNSPEUPRVLQ-KJYVVIDUSA-N
MW204.22 g/mol
LogP-0.98
Rot. Bonds3

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

(3R)-2-methyl-6-prop-2-enoxyoxane-3,4,5-triol (PubChem CID 160723234) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is (3R)-2-methyl-6-prop-2-enoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(3R)-2-methyl-6-prop-2-enoxyoxane-3,4,5-triol
PubChem CID160723234
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name(3R)-2-methyl-6-prop-2-enoxyoxane-3,4,5-triol
SMILESC=CCOC1OC(C)[C@H](O)C(O)C1O
InChIInChI=1S/C9H16O5/c1-3-4-13-9-8(12)7(11)6(10)5(2)14-9/h3,5-12H,1,4H2,2H3/t5?,6-,7?,8?,9?/m0/s1
InChIKeyJPOJNSPEUPRVLQ-KJYVVIDUSA-N
XLogP-0.98
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4R,5R,6S)-2-methyl-6-prop-2-enoxyoxane-3,4,5-triol
CID 134936569
(2R,3R,4S,5R)-2-methyl-6-pent-4-enoxyoxane-3,4,5-triol
CID 121217017
(2R,3R,4S,5R,6S)-2-methyl-4,5,6-tris(prop-2-enoxy)oxan-3-ol
CID 70631256
[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2-methyl-6-prop-2-enoxyoxan-3-yl] acetate
CID 46191840
(2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol
CID 90276853
(2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5R,6R)-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2-prop-2-enoxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 101154089
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4,5-triol
CID 23250805
(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-4-prop-2-enoxyoxane-3,5-diol
CID 14824471
(3aR,7S,7aR)-2,2,6-trimethyl-4-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 170400106
(2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol;methane
CID 158281712
(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

Frequently Asked Questions

What is the IUPAC name of (3R)-2-methyl-6-prop-2-enoxyoxane-3,4,5-triol?
The IUPAC name of (3R)-2-methyl-6-prop-2-enoxyoxane-3,4,5-triol (CID 160723234) is (3R)-2-methyl-6-prop-2-enoxyoxane-3,4,5-triol.
What is the SMILES notation for (3R)-2-methyl-6-prop-2-enoxyoxane-3,4,5-triol?
The canonical SMILES for (3R)-2-methyl-6-prop-2-enoxyoxane-3,4,5-triol is C=CCOC1OC(C)[C@H](O)C(O)C1O.
What is the InChIKey of (3R)-2-methyl-6-prop-2-enoxyoxane-3,4,5-triol?
The InChIKey is JPOJNSPEUPRVLQ-KJYVVIDUSA-N. The full InChI is InChI=1S/C9H16O5/c1-3-4-13-9-8(12)7(11)6(10)5(2)14-9/h3,5-12H,1,4H2,2H3/t5?,6-,7?,8?,9?/m0/s1.
What are the key properties of (3R)-2-methyl-6-prop-2-enoxyoxane-3,4,5-triol?
(3R)-2-methyl-6-prop-2-enoxyoxane-3,4,5-triol has a molecular weight of 204.22 g/mol, XLogP of -0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-methyl-6-prop-2-enoxyoxane-3,4,5-triol is sourced from PubChem (CID 160723234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).