(3R,4R,5S,6R)-3-(benzylamino)-6-(phenylmethoxymethyl)oxane-2,4,5-triol

C20H25NO5 — CID 102126208

IUPAC(3R,4R,5S,6R)-3-(benzylamino)-6-(phenylmethoxymethyl)oxane-2,4,5-triol
SMILESOC1O[C@H](COCc2ccccc2)[C@@H](O)[C@H](O)[C@H]1NCc1ccccc1
InChIInChI=1S/C20H25NO5/c22-18-16(13-25-12-15-9-5-2-6-10-15)26-20(24)17(19(18)23)21-11-14-7-3-1-4-8-14/h1-10,16-24H,11-13H2/t16-,17-,18-,19-,20?/m1/s1
InChIKeyKOXZMTNFUMXZIB-MGXUXCEGSA-N
MW359.42 g/mol
LogP0.80
Rot. Bonds7

About (3R,4R,5S,6R)-3-(benzylamino)-6-(phenylmethoxymethyl)oxane-2,4,5-triol

(3R,4R,5S,6R)-3-(benzylamino)-6-(phenylmethoxymethyl)oxane-2,4,5-triol (PubChem CID 102126208) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is (3R,4R,5S,6R)-3-(benzylamino)-6-(phenylmethoxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name(3R,4R,5S,6R)-3-(benzylamino)-6-(phenylmethoxymethyl)oxane-2,4,5-triol
PubChem CID102126208
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name(3R,4R,5S,6R)-3-(benzylamino)-6-(phenylmethoxymethyl)oxane-2,4,5-triol
SMILESOC1O[C@H](COCc2ccccc2)[C@@H](O)[C@H](O)[C@H]1NCc1ccccc1
InChIInChI=1S/C20H25NO5/c22-18-16(13-25-12-15-9-5-2-6-10-15)26-20(24)17(19(18)23)21-11-14-7-3-1-4-8-14/h1-10,16-24H,11-13H2/t16-,17-,18-,19-,20?/m1/s1
InChIKeyKOXZMTNFUMXZIB-MGXUXCEGSA-N
XLogP0.80
TPSA91.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4R,5R,6R)-3-(benzylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 11565251
(3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol
CID 90672360
(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol
CID 22979812
4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol
CID 14139647
(2R,3S,4S,5R)-2-methoxy-5-(phenylmethoxymethyl)oxolane-3,4-diol
CID 11139675
(2S,3S,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-(prop-2-enylamino)oxolan-2-ol
CID 25023230
(2S,3R,4S,5S,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 123970736
(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 10950430
(3R,4R,5S,6R)-3-amino-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol
CID 90939557
(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 12933787
(2S,3R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076892
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076623

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6R)-3-(benzylamino)-6-(phenylmethoxymethyl)oxane-2,4,5-triol?
The IUPAC name of (3R,4R,5S,6R)-3-(benzylamino)-6-(phenylmethoxymethyl)oxane-2,4,5-triol (CID 102126208) is (3R,4R,5S,6R)-3-(benzylamino)-6-(phenylmethoxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for (3R,4R,5S,6R)-3-(benzylamino)-6-(phenylmethoxymethyl)oxane-2,4,5-triol?
The canonical SMILES for (3R,4R,5S,6R)-3-(benzylamino)-6-(phenylmethoxymethyl)oxane-2,4,5-triol is OC1O[C@H](COCc2ccccc2)[C@@H](O)[C@H](O)[C@H]1NCc1ccccc1.
What is the InChIKey of (3R,4R,5S,6R)-3-(benzylamino)-6-(phenylmethoxymethyl)oxane-2,4,5-triol?
The InChIKey is KOXZMTNFUMXZIB-MGXUXCEGSA-N. The full InChI is InChI=1S/C20H25NO5/c22-18-16(13-25-12-15-9-5-2-6-10-15)26-20(24)17(19(18)23)21-11-14-7-3-1-4-8-14/h1-10,16-24H,11-13H2/t16-,17-,18-,19-,20?/m1/s1.
What are the key properties of (3R,4R,5S,6R)-3-(benzylamino)-6-(phenylmethoxymethyl)oxane-2,4,5-triol?
(3R,4R,5S,6R)-3-(benzylamino)-6-(phenylmethoxymethyl)oxane-2,4,5-triol has a molecular weight of 359.42 g/mol, XLogP of 0.80, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6R)-3-(benzylamino)-6-(phenylmethoxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 102126208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).