(2R,3R,4S,5R,6R)-2,6-bis(hydroxymethyl)-2-[(E)-2-phenylethenyl]oxane-3,4,5-triol

C15H20O6 — CID 102305330

IUPAC(2R,3R,4S,5R,6R)-2,6-bis(hydroxymethyl)-2-[(E)-2-phenylethenyl]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@](/C=C/c2ccccc2)(CO)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H20O6/c16-8-11-12(18)13(19)14(20)15(9-17,21-11)7-6-10-4-2-1-3-5-10/h1-7,11-14,16-20H,8-9H2/b7-6+/t11-,12+,13+,14-,15-/m1/s1
InChIKeyJZQOFEYCROLKHA-NPSQLEQKSA-N
MW296.32 g/mol
LogP-1.10
Rot. Bonds4

About (2R,3R,4S,5R,6R)-2,6-bis(hydroxymethyl)-2-[(E)-2-phenylethenyl]oxane-3,4,5-triol

(2R,3R,4S,5R,6R)-2,6-bis(hydroxymethyl)-2-[(E)-2-phenylethenyl]oxane-3,4,5-triol (PubChem CID 102305330) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2,6-bis(hydroxymethyl)-2-[(E)-2-phenylethenyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2,6-bis(hydroxymethyl)-2-[(E)-2-phenylethenyl]oxane-3,4,5-triol
PubChem CID102305330
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name(2R,3R,4S,5R,6R)-2,6-bis(hydroxymethyl)-2-[(E)-2-phenylethenyl]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@](/C=C/c2ccccc2)(CO)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H20O6/c16-8-11-12(18)13(19)14(20)15(9-17,21-11)7-6-10-4-2-1-3-5-10/h1-7,11-14,16-20H,8-9H2/b7-6+/t11-,12+,13+,14-,15-/m1/s1
InChIKeyJZQOFEYCROLKHA-NPSQLEQKSA-N
XLogP-1.10
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 5-1.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4S,5S,6R)-2,2-diamino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 171922004
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol
CID 154497375
(6R,7S,8S,9R)-9-(hydroxymethyl)-3-phenyl-1,10-dioxa-4-thia-2-azaspiro[4.5]dec-2-ene-6,7,8-triol
CID 44517684
[(2S,3R,4R,5S,6S)-6-[(2S,3R,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate
CID 154831931
(2R,3S,5S)-2-(hydroxymethyl)-5-[3-[(E)-2-phenylethenyl]phenyl]oxolan-3-ol
CID 11702098
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol;phenol
CID 131712515
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[3-methoxy-5-(2-phenylethenyl)phenoxy]oxane-3,4,5-triol
CID 69248049
3-amino-6-[(E)-2-phenylethenyl]-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2,4-triazin-5-one
CID 100997571
(2S,3R,4R,5S,6R)-3-amino-2-benzyl-6-(hydroxymethyl)oxane-2,4,5-triol
CID 140974185
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 3-phenylprop-2-enoate
CID 162906793
(2R,3R,4S,5R)-2-[4-amino-3-[(E)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 164619965
(4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 46782101

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2,6-bis(hydroxymethyl)-2-[(E)-2-phenylethenyl]oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6R)-2,6-bis(hydroxymethyl)-2-[(E)-2-phenylethenyl]oxane-3,4,5-triol (CID 102305330) is (2R,3R,4S,5R,6R)-2,6-bis(hydroxymethyl)-2-[(E)-2-phenylethenyl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2,6-bis(hydroxymethyl)-2-[(E)-2-phenylethenyl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2,6-bis(hydroxymethyl)-2-[(E)-2-phenylethenyl]oxane-3,4,5-triol is OC[C@H]1O[C@](/C=C/c2ccccc2)(CO)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6R)-2,6-bis(hydroxymethyl)-2-[(E)-2-phenylethenyl]oxane-3,4,5-triol?
The InChIKey is JZQOFEYCROLKHA-NPSQLEQKSA-N. The full InChI is InChI=1S/C15H20O6/c16-8-11-12(18)13(19)14(20)15(9-17,21-11)7-6-10-4-2-1-3-5-10/h1-7,11-14,16-20H,8-9H2/b7-6+/t11-,12+,13+,14-,15-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2,6-bis(hydroxymethyl)-2-[(E)-2-phenylethenyl]oxane-3,4,5-triol?
(2R,3R,4S,5R,6R)-2,6-bis(hydroxymethyl)-2-[(E)-2-phenylethenyl]oxane-3,4,5-triol has a molecular weight of 296.32 g/mol, XLogP of -1.10, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2,6-bis(hydroxymethyl)-2-[(E)-2-phenylethenyl]oxane-3,4,5-triol is sourced from PubChem (CID 102305330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).