(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylselanyloxane-3,5-diol

C19H22O5Se — CID 11004110

IUPAC(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylselanyloxane-3,5-diol
SMILESOC[C@H]1O[C@@H]([Se]c2ccccc2)[C@H](O)[C@@H](OCc2ccccc2)[C@@H]1O
InChIInChI=1S/C19H22O5Se/c20-11-15-16(21)18(23-12-13-7-3-1-4-8-13)17(22)19(24-15)25-14-9-5-2-6-10-14/h1-10,15-22H,11-12H2/t15-,16-,17-,18+,19+/m1/s1
InChIKeyHIZXNDXGNQDWGL-QQXKLLMISA-N
MW409.34 g/mol
LogP0.04
Rot. Bonds6

About (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylselanyloxane-3,5-diol

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylselanyloxane-3,5-diol (PubChem CID 11004110) has the molecular formula C19H22O5Se and a molecular weight of 409.34 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylselanyloxane-3,5-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylselanyloxane-3,5-diol
PubChem CID11004110
Molecular FormulaC19H22O5Se
Molecular Weight409.34 g/mol
Exact Mass410.06
IUPAC Name(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylselanyloxane-3,5-diol
SMILESOC[C@H]1O[C@@H]([Se]c2ccccc2)[C@H](O)[C@@H](OCc2ccccc2)[C@@H]1O
InChIInChI=1S/C19H22O5Se/c20-11-15-16(21)18(23-12-13-7-3-1-4-8-13)17(22)19(24-15)25-14-9-5-2-6-10-14/h1-10,15-22H,11-12H2/t15-,16-,17-,18+,19+/m1/s1
InChIKeyHIZXNDXGNQDWGL-QQXKLLMISA-N
XLogP0.04
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.34
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S,5R,6R)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 10973150
(3S,4R,5S,6S)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 154701983
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-methyl-4-phenylmethoxyoxolan-3-ol
CID 58747870
(2S,3S,4S,5S,6S)-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol
CID 91699471
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxane-3,5-diol
CID 10379133
(2S,3S,4S,5S,6R)-6-[(2R,3R,4R,5R,6S)-5-hydroxy-6-(hydroxymethyl)-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)oxan-3-ol
CID 99694818
(2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol
CID 131023997
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 102185522
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxan-3-ol
CID 11486405
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-phenylmethoxy-4-prop-2-enoxyoxane-3,5-diol
CID 11449737
[(2R,3R,4S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-phenylselanyloxan-2-yl]methyl acetate
CID 16754803
(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol
CID 54063014

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylselanyloxane-3,5-diol?
The IUPAC name of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylselanyloxane-3,5-diol (CID 11004110) is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylselanyloxane-3,5-diol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylselanyloxane-3,5-diol?
The canonical SMILES for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylselanyloxane-3,5-diol is OC[C@H]1O[C@@H]([Se]c2ccccc2)[C@H](O)[C@@H](OCc2ccccc2)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylselanyloxane-3,5-diol?
The InChIKey is HIZXNDXGNQDWGL-QQXKLLMISA-N. The full InChI is InChI=1S/C19H22O5Se/c20-11-15-16(21)18(23-12-13-7-3-1-4-8-13)17(22)19(24-15)25-14-9-5-2-6-10-14/h1-10,15-22H,11-12H2/t15-,16-,17-,18+,19+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylselanyloxane-3,5-diol?
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylselanyloxane-3,5-diol has a molecular weight of 409.34 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylselanyloxane-3,5-diol is sourced from PubChem (CID 11004110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).