(2S,3R,4S,5R,6R)-6-methyl-2-prop-2-enyloxane-2,3,4,5-tetrol

C9H16O5 — CID 22820540

IUPAC(2S,3R,4S,5R,6R)-6-methyl-2-prop-2-enyloxane-2,3,4,5-tetrol
SMILESC=CC[C@]1(O)O[C@H](C)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C9H16O5/c1-3-4-9(13)8(12)7(11)6(10)5(2)14-9/h3,5-8,10-13H,1,4H2,2H3/t5-,6+,7+,8-,9+/m1/s1
InChIKeySMEROZIPSUXXPK-NXRLNHOXSA-N
MW204.22 g/mol
LogP-1.25
Rot. Bonds2

About (2S,3R,4S,5R,6R)-6-methyl-2-prop-2-enyloxane-2,3,4,5-tetrol

(2S,3R,4S,5R,6R)-6-methyl-2-prop-2-enyloxane-2,3,4,5-tetrol (PubChem CID 22820540) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-6-methyl-2-prop-2-enyloxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-6-methyl-2-prop-2-enyloxane-2,3,4,5-tetrol
PubChem CID22820540
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name(2S,3R,4S,5R,6R)-6-methyl-2-prop-2-enyloxane-2,3,4,5-tetrol
SMILESC=CC[C@]1(O)O[C@H](C)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C9H16O5/c1-3-4-9(13)8(12)7(11)6(10)5(2)14-9/h3,5-8,10-13H,1,4H2,2H3/t5-,6+,7+,8-,9+/m1/s1
InChIKeySMEROZIPSUXXPK-NXRLNHOXSA-N
XLogP-1.25
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
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 (2S,3R,4S,5R,6R)-6-methyl-2-prop-2-enyloxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3R,4S,5R,6R)-6-methyl-2-prop-2-enyloxane-2,3,4,5-tetrol (CID 22820540) is (2S,3R,4S,5R,6R)-6-methyl-2-prop-2-enyloxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3R,4S,5R,6R)-6-methyl-2-prop-2-enyloxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3R,4S,5R,6R)-6-methyl-2-prop-2-enyloxane-2,3,4,5-tetrol is C=CC[C@]1(O)O[C@H](C)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R,6R)-6-methyl-2-prop-2-enyloxane-2,3,4,5-tetrol?
The InChIKey is SMEROZIPSUXXPK-NXRLNHOXSA-N. The full InChI is InChI=1S/C9H16O5/c1-3-4-9(13)8(12)7(11)6(10)5(2)14-9/h3,5-8,10-13H,1,4H2,2H3/t5-,6+,7+,8-,9+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-6-methyl-2-prop-2-enyloxane-2,3,4,5-tetrol?
(2S,3R,4S,5R,6R)-6-methyl-2-prop-2-enyloxane-2,3,4,5-tetrol has a molecular weight of 204.22 g/mol, XLogP of -1.25, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-6-methyl-2-prop-2-enyloxane-2,3,4,5-tetrol is sourced from PubChem (CID 22820540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).