(1R,2R,3R,4R)-5-(hydroxymethyl)-6-[(E)-prop-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol

C10H16O5 — CID 156581221

IUPAC(1R,2R,3R,4R)-5-(hydroxymethyl)-6-[(E)-prop-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol
SMILESC/C=C/C1=C(CO)[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H16O5/c1-2-3-5-6(4-11)8(13)10(15)9(14)7(5)12/h2-3,7-15H,4H2,1H3/b3-2+/t7-,8-,9-,10-/m1/s1
InChIKeyCSBVPLTZWBYCDB-CXQZGVJDSA-N
MW216.23 g/mol
LogP-1.69
Rot. Bonds2

About (1R,2R,3R,4R)-5-(hydroxymethyl)-6-[(E)-prop-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol

(1R,2R,3R,4R)-5-(hydroxymethyl)-6-[(E)-prop-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol (PubChem CID 156581221) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (1R,2R,3R,4R)-5-(hydroxymethyl)-6-[(E)-prop-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1R,2R,3R,4R)-5-(hydroxymethyl)-6-[(E)-prop-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol
PubChem CID156581221
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(1R,2R,3R,4R)-5-(hydroxymethyl)-6-[(E)-prop-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol
SMILESC/C=C/C1=C(CO)[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H16O5/c1-2-3-5-6(4-11)8(13)10(15)9(14)7(5)12/h2-3,7-15H,4H2,1H3/b3-2+/t7-,8-,9-,10-/m1/s1
InChIKeyCSBVPLTZWBYCDB-CXQZGVJDSA-N
XLogP-1.69
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-1.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4R)-5-(hydroxymethyl)-6-[(E)-prop-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol?
The IUPAC name of (1R,2R,3R,4R)-5-(hydroxymethyl)-6-[(E)-prop-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol (CID 156581221) is (1R,2R,3R,4R)-5-(hydroxymethyl)-6-[(E)-prop-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol.
What is the SMILES notation for (1R,2R,3R,4R)-5-(hydroxymethyl)-6-[(E)-prop-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol?
The canonical SMILES for (1R,2R,3R,4R)-5-(hydroxymethyl)-6-[(E)-prop-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol is C/C=C/C1=C(CO)[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (1R,2R,3R,4R)-5-(hydroxymethyl)-6-[(E)-prop-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol?
The InChIKey is CSBVPLTZWBYCDB-CXQZGVJDSA-N. The full InChI is InChI=1S/C10H16O5/c1-2-3-5-6(4-11)8(13)10(15)9(14)7(5)12/h2-3,7-15H,4H2,1H3/b3-2+/t7-,8-,9-,10-/m1/s1.
What are the key properties of (1R,2R,3R,4R)-5-(hydroxymethyl)-6-[(E)-prop-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol?
(1R,2R,3R,4R)-5-(hydroxymethyl)-6-[(E)-prop-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol has a molecular weight of 216.23 g/mol, XLogP of -1.69, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4R)-5-(hydroxymethyl)-6-[(E)-prop-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol is sourced from PubChem (CID 156581221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).