(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol

C16H24O7 — CID 10991070

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol
SMILESC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C16H24O7/c1-9(11(18)7-10-5-3-2-4-6-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h2-6,9,11-21H,7-8H2,1H3/t9-,11-,12+,13+,14-,15+,16+/m0/s1
InChIKeyVXCHCEMGVYEDHV-FGOXOWFVSA-N
MW328.36 g/mol
LogP-1.21
Rot. Bonds6

About (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol (PubChem CID 10991070) has the molecular formula C16H24O7 and a molecular weight of 328.36 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol
PubChem CID10991070
Molecular FormulaC16H24O7
Molecular Weight328.36 g/mol
Exact Mass328.15
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol
SMILESC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C16H24O7/c1-9(11(18)7-10-5-3-2-4-6-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h2-6,9,11-21H,7-8H2,1H3/t9-,11-,12+,13+,14-,15+,16+/m0/s1
InChIKeyVXCHCEMGVYEDHV-FGOXOWFVSA-N
XLogP-1.21
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 5-1.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol (CID 10991070) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol is C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)Cc1ccccc1.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol?
The InChIKey is VXCHCEMGVYEDHV-FGOXOWFVSA-N. The full InChI is InChI=1S/C16H24O7/c1-9(11(18)7-10-5-3-2-4-6-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h2-6,9,11-21H,7-8H2,1H3/t9-,11-,12+,13+,14-,15+,16+/m0/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol has a molecular weight of 328.36 g/mol, XLogP of -1.21, 6 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-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol is sourced from PubChem (CID 10991070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).