(2R,3R,4S,5S,6R)-2-deca-2,8-dien-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol

C16H20O6 — CID 162868037

IUPAC(2R,3R,4S,5S,6R)-2-deca-2,8-dien-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCC=CC#CC#CC=CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H20O6/c1-2-3-4-5-6-7-8-9-10-21-16-15(20)14(19)13(18)12(11-17)22-16/h2-3,8-9,12-20H,10-11H2,1H3/t12-,13-,14+,15-,16-/m1/s1
InChIKeySQEYEKCHRFLZRA-IBEHDNSVSA-N
MW308.33 g/mol
LogP-1.06
Rot. Bonds4

About (2R,3R,4S,5S,6R)-2-deca-2,8-dien-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-deca-2,8-dien-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 162868037) has the molecular formula C16H20O6 and a molecular weight of 308.33 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-deca-2,8-dien-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-deca-2,8-dien-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID162868037
Molecular FormulaC16H20O6
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC Name(2R,3R,4S,5S,6R)-2-deca-2,8-dien-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCC=CC#CC#CC=CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H20O6/c1-2-3-4-5-6-7-8-9-10-21-16-15(20)14(19)13(18)12(11-17)22-16/h2-3,8-9,12-20H,10-11H2,1H3/t12-,13-,14+,15-,16-/m1/s1
InChIKeySQEYEKCHRFLZRA-IBEHDNSVSA-N
XLogP-1.06
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Geranyl glucoside
CID 10710515
Neryl glucoside
CID 18688993
Prenyl glucoside
CID 14239303
Prenyl arabinosyl-(1->6)-glucoside
CID 131753120
1-Octen-3-yl glucoside
CID 73817234
Lobetyolin
CID 14655097
Lentzeoside C
CID 129909604
Lentzeoside B
CID 129909605
Lentzeoside A
CID 129909619
Lentzeoside D
CID 129909620
Nerol glucoside
CID 10567416
Allyl galactopyranoside
CID 151026

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-deca-2,8-dien-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-deca-2,8-dien-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 162868037) is (2R,3R,4S,5S,6R)-2-deca-2,8-dien-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-deca-2,8-dien-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-deca-2,8-dien-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol is CC=CC#CC#CC=CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-deca-2,8-dien-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is SQEYEKCHRFLZRA-IBEHDNSVSA-N. The full InChI is InChI=1S/C16H20O6/c1-2-3-4-5-6-7-8-9-10-21-16-15(20)14(19)13(18)12(11-17)22-16/h2-3,8-9,12-20H,10-11H2,1H3/t12-,13-,14+,15-,16-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-deca-2,8-dien-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-deca-2,8-dien-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 308.33 g/mol, XLogP of -1.06, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-deca-2,8-dien-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 162868037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).