(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E,6S)-6-hydroxy-2-methylhept-2-enoxy]oxane-3,4,5-triol

C14H26O7 — CID 162961454

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E,6S)-6-hydroxy-2-methylhept-2-enoxy]oxane-3,4,5-triol
SMILESC/C(=C\CC[C@H](C)O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H26O7/c1-8(4-3-5-9(2)16)7-20-14-13(19)12(18)11(17)10(6-15)21-14/h4,9-19H,3,5-7H2,1-2H3/b8-4+/t9-,10+,11+,12-,13+,14+/m0/s1
InChIKeyRYOZPJPMEMWLIF-JXYWVWMRSA-N
MW306.36 g/mol
LogP-1.09
Rot. Bonds7

About (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E,6S)-6-hydroxy-2-methylhept-2-enoxy]oxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E,6S)-6-hydroxy-2-methylhept-2-enoxy]oxane-3,4,5-triol (PubChem CID 162961454) has the molecular formula C14H26O7 and a molecular weight of 306.36 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E,6S)-6-hydroxy-2-methylhept-2-enoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E,6S)-6-hydroxy-2-methylhept-2-enoxy]oxane-3,4,5-triol
PubChem CID162961454
Molecular FormulaC14H26O7
Molecular Weight306.36 g/mol
Exact Mass306.17
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E,6S)-6-hydroxy-2-methylhept-2-enoxy]oxane-3,4,5-triol
SMILESC/C(=C\CC[C@H](C)O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H26O7/c1-8(4-3-5-9(2)16)7-20-14-13(19)12(18)11(17)10(6-15)21-14/h4,9-19H,3,5-7H2,1-2H3/b8-4+/t9-,10+,11+,12-,13+,14+/m0/s1
InChIKeyRYOZPJPMEMWLIF-JXYWVWMRSA-N
XLogP-1.09
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 5-1.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E,6S)-6-hydroxy-2-methylhept-2-enoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E,6S)-6-hydroxy-2-methylhept-2-enoxy]oxane-3,4,5-triol (CID 162961454) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E,6S)-6-hydroxy-2-methylhept-2-enoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E,6S)-6-hydroxy-2-methylhept-2-enoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E,6S)-6-hydroxy-2-methylhept-2-enoxy]oxane-3,4,5-triol is C/C(=C\CC[C@H](C)O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E,6S)-6-hydroxy-2-methylhept-2-enoxy]oxane-3,4,5-triol?
The InChIKey is RYOZPJPMEMWLIF-JXYWVWMRSA-N. The full InChI is InChI=1S/C14H26O7/c1-8(4-3-5-9(2)16)7-20-14-13(19)12(18)11(17)10(6-15)21-14/h4,9-19H,3,5-7H2,1-2H3/b8-4+/t9-,10+,11+,12-,13+,14+/m0/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E,6S)-6-hydroxy-2-methylhept-2-enoxy]oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E,6S)-6-hydroxy-2-methylhept-2-enoxy]oxane-3,4,5-triol has a molecular weight of 306.36 g/mol, XLogP of -1.09, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E,6S)-6-hydroxy-2-methylhept-2-enoxy]oxane-3,4,5-triol is sourced from PubChem (CID 162961454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).