(2R,3S,4S,5R,6R)-6-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-5-prop-2-enoxyoxane-3,4-diol

C15H26O11 — CID 3034998

IUPAC(2R,3S,4S,5R,6R)-6-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-5-prop-2-enoxyoxane-3,4-diol
SMILESC=CCO[C@H]1[C@@H](O[C@@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H26O11/c1-2-3-23-12-11(21)9(19)7(4-16)24-14(12)26-15(6-18)13(22)10(20)8(5-17)25-15/h2,7-14,16-22H,1,3-6H2/t7-,8-,9-,10-,11+,12-,13+,14-,15-/m1/s1
InChIKeyPUHSGHNPZPIVLH-WYJKLPQKSA-N
MW382.36 g/mol
LogP-4.19
Rot. Bonds8

About (2R,3S,4S,5R,6R)-6-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-5-prop-2-enoxyoxane-3,4-diol

(2R,3S,4S,5R,6R)-6-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-5-prop-2-enoxyoxane-3,4-diol (PubChem CID 3034998) has the molecular formula C15H26O11 and a molecular weight of 382.36 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-6-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-5-prop-2-enoxyoxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-6-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-5-prop-2-enoxyoxane-3,4-diol
PubChem CID3034998
Molecular FormulaC15H26O11
Molecular Weight382.36 g/mol
Exact Mass382.15
IUPAC Name(2R,3S,4S,5R,6R)-6-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-5-prop-2-enoxyoxane-3,4-diol
SMILESC=CCO[C@H]1[C@@H](O[C@@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H26O11/c1-2-3-23-12-11(21)9(19)7(4-16)24-14(12)26-15(6-18)13(22)10(20)8(5-17)25-15/h2,7-14,16-22H,1,3-6H2/t7-,8-,9-,10-,11+,12-,13+,14-,15-/m1/s1
InChIKeyPUHSGHNPZPIVLH-WYJKLPQKSA-N
XLogP-4.19
TPSA178.53 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500382.36
LogP ≤ 5-4.19
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

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)-6-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-5-prop-2-enoxyoxane-3,4-diol?
The IUPAC name of (2R,3S,4S,5R,6R)-6-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-5-prop-2-enoxyoxane-3,4-diol (CID 3034998) is (2R,3S,4S,5R,6R)-6-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-5-prop-2-enoxyoxane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-6-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-5-prop-2-enoxyoxane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5R,6R)-6-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-5-prop-2-enoxyoxane-3,4-diol is C=CCO[C@H]1[C@@H](O[C@@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6R)-6-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-5-prop-2-enoxyoxane-3,4-diol?
The InChIKey is PUHSGHNPZPIVLH-WYJKLPQKSA-N. The full InChI is InChI=1S/C15H26O11/c1-2-3-23-12-11(21)9(19)7(4-16)24-14(12)26-15(6-18)13(22)10(20)8(5-17)25-15/h2,7-14,16-22H,1,3-6H2/t7-,8-,9-,10-,11+,12-,13+,14-,15-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-6-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-5-prop-2-enoxyoxane-3,4-diol?
(2R,3S,4S,5R,6R)-6-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-5-prop-2-enoxyoxane-3,4-diol has a molecular weight of 382.36 g/mol, XLogP of -4.19, 8 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-6-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-5-prop-2-enoxyoxane-3,4-diol is sourced from PubChem (CID 3034998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).