[(3S)-5-amino-3,4-bis(phenylmethoxy)oxan-2-yl]methanol

C20H25NO4 — CID 163725774

IUPAC[(3S)-5-amino-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
SMILESNC1COC(CO)[C@@H](OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C20H25NO4/c21-17-14-23-18(11-22)20(25-13-16-9-5-2-6-10-16)19(17)24-12-15-7-3-1-4-8-15/h1-10,17-20,22H,11-14,21H2/t17?,18?,19?,20-/m1/s1
InChIKeyKVLFHYLHSBEPPG-YSFGRKDWSA-N
MW343.42 g/mol
LogP1.88
Rot. Bonds7

About [(3S)-5-amino-3,4-bis(phenylmethoxy)oxan-2-yl]methanol

[(3S)-5-amino-3,4-bis(phenylmethoxy)oxan-2-yl]methanol (PubChem CID 163725774) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is [(3S)-5-amino-3,4-bis(phenylmethoxy)oxan-2-yl]methanol.

Molecular Properties

Compound Name[(3S)-5-amino-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
PubChem CID163725774
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name[(3S)-5-amino-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
SMILESNC1COC(CO)[C@@H](OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C20H25NO4/c21-17-14-23-18(11-22)20(25-13-16-9-5-2-6-10-16)19(17)24-12-15-7-3-1-4-8-15/h1-10,17-20,22H,11-14,21H2/t17?,18?,19?,20-/m1/s1
InChIKeyKVLFHYLHSBEPPG-YSFGRKDWSA-N
XLogP1.88
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,3R,4S,5S)-4-methoxy-5-methyl-3-phenylmethoxyoxan-2-yl]methanol
CID 67672097
(2R,3R,4R)-2-(hydroxymethyl)-3-phenylmethoxyoxan-4-ol
CID 54189960
5-benzyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-amine
CID 175827972
(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine
CID 45361682
(3R,4R,5R)-5-(iodomethyl)-4-phenylmethoxyoxolan-3-ol
CID 10592798
[(2R,3R,4S,5R)-5-(bromomethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 13009797
[(2S,3S,5R,6S)-3,5-diamino-6-phenylmethoxyoxan-2-yl]methanol
CID 131227318
[(3R,4R,5S,6R)-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl]methanol
CID 174153826
[(2R,3S,4S,5R)-6-fluoro-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 11576051
[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 175374479
[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 170405483
[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 76600599

Frequently Asked Questions

What is the IUPAC name of [(3S)-5-amino-3,4-bis(phenylmethoxy)oxan-2-yl]methanol?
The IUPAC name of [(3S)-5-amino-3,4-bis(phenylmethoxy)oxan-2-yl]methanol (CID 163725774) is [(3S)-5-amino-3,4-bis(phenylmethoxy)oxan-2-yl]methanol.
What is the SMILES notation for [(3S)-5-amino-3,4-bis(phenylmethoxy)oxan-2-yl]methanol?
The canonical SMILES for [(3S)-5-amino-3,4-bis(phenylmethoxy)oxan-2-yl]methanol is NC1COC(CO)[C@@H](OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of [(3S)-5-amino-3,4-bis(phenylmethoxy)oxan-2-yl]methanol?
The InChIKey is KVLFHYLHSBEPPG-YSFGRKDWSA-N. The full InChI is InChI=1S/C20H25NO4/c21-17-14-23-18(11-22)20(25-13-16-9-5-2-6-10-16)19(17)24-12-15-7-3-1-4-8-15/h1-10,17-20,22H,11-14,21H2/t17?,18?,19?,20-/m1/s1.
What are the key properties of [(3S)-5-amino-3,4-bis(phenylmethoxy)oxan-2-yl]methanol?
[(3S)-5-amino-3,4-bis(phenylmethoxy)oxan-2-yl]methanol has a molecular weight of 343.42 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-5-amino-3,4-bis(phenylmethoxy)oxan-2-yl]methanol is sourced from PubChem (CID 163725774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).