(1S,2S,3S,4S,5R,6R)-5-methoxy-6-prop-2-enoxycyclohexane-1,2,3,4-tetrol

C10H18O6 — CID 11470333

IUPAC(1S,2S,3S,4S,5R,6R)-5-methoxy-6-prop-2-enoxycyclohexane-1,2,3,4-tetrol
SMILESC=CCO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1OC
InChIInChI=1S/C10H18O6/c1-3-4-16-10-8(14)6(12)5(11)7(13)9(10)15-2/h3,5-14H,1,4H2,2H3/t5-,6-,7-,8-,9+,10+/m0/s1
InChIKeyZJFGNUOHUSWLNB-KZZCMQFTSA-N
MW234.25 g/mol
LogP-1.97
Rot. Bonds4

About (1S,2S,3S,4S,5R,6R)-5-methoxy-6-prop-2-enoxycyclohexane-1,2,3,4-tetrol

(1S,2S,3S,4S,5R,6R)-5-methoxy-6-prop-2-enoxycyclohexane-1,2,3,4-tetrol (PubChem CID 11470333) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is (1S,2S,3S,4S,5R,6R)-5-methoxy-6-prop-2-enoxycyclohexane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1S,2S,3S,4S,5R,6R)-5-methoxy-6-prop-2-enoxycyclohexane-1,2,3,4-tetrol
PubChem CID11470333
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Name(1S,2S,3S,4S,5R,6R)-5-methoxy-6-prop-2-enoxycyclohexane-1,2,3,4-tetrol
SMILESC=CCO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1OC
InChIInChI=1S/C10H18O6/c1-3-4-16-10-8(14)6(12)5(11)7(13)9(10)15-2/h3,5-14H,1,4H2,2H3/t5-,6-,7-,8-,9+,10+/m0/s1
InChIKeyZJFGNUOHUSWLNB-KZZCMQFTSA-N
XLogP-1.97
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-1.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 (1S,2S,3S,4S,5R,6R)-5-methoxy-6-prop-2-enoxycyclohexane-1,2,3,4-tetrol?
The IUPAC name of (1S,2S,3S,4S,5R,6R)-5-methoxy-6-prop-2-enoxycyclohexane-1,2,3,4-tetrol (CID 11470333) is (1S,2S,3S,4S,5R,6R)-5-methoxy-6-prop-2-enoxycyclohexane-1,2,3,4-tetrol.
What is the SMILES notation for (1S,2S,3S,4S,5R,6R)-5-methoxy-6-prop-2-enoxycyclohexane-1,2,3,4-tetrol?
The canonical SMILES for (1S,2S,3S,4S,5R,6R)-5-methoxy-6-prop-2-enoxycyclohexane-1,2,3,4-tetrol is C=CCO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1OC.
What is the InChIKey of (1S,2S,3S,4S,5R,6R)-5-methoxy-6-prop-2-enoxycyclohexane-1,2,3,4-tetrol?
The InChIKey is ZJFGNUOHUSWLNB-KZZCMQFTSA-N. The full InChI is InChI=1S/C10H18O6/c1-3-4-16-10-8(14)6(12)5(11)7(13)9(10)15-2/h3,5-14H,1,4H2,2H3/t5-,6-,7-,8-,9+,10+/m0/s1.
What are the key properties of (1S,2S,3S,4S,5R,6R)-5-methoxy-6-prop-2-enoxycyclohexane-1,2,3,4-tetrol?
(1S,2S,3S,4S,5R,6R)-5-methoxy-6-prop-2-enoxycyclohexane-1,2,3,4-tetrol has a molecular weight of 234.25 g/mol, XLogP of -1.97, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,4S,5R,6R)-5-methoxy-6-prop-2-enoxycyclohexane-1,2,3,4-tetrol is sourced from PubChem (CID 11470333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).