(3R,6S)-5-amino-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4-diol

C13H19NO5 — CID 131700365

IUPAC(3R,6S)-5-amino-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4-diol
SMILESNC1C(O)[C@@H](O)C(CO)O[C@@H]1OCc1ccccc1
InChIInChI=1S/C13H19NO5/c14-10-12(17)11(16)9(6-15)19-13(10)18-7-8-4-2-1-3-5-8/h1-5,9-13,15-17H,6-7,14H2/t9?,10?,11-,12?,13-/m0/s1
InChIKeyZLTAXQWRKKWROR-PQZGQSDKSA-N
MW269.30 g/mol
LogP-1.03
Rot. Bonds4

About (3R,6S)-5-amino-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4-diol

(3R,6S)-5-amino-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4-diol (PubChem CID 131700365) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is (3R,6S)-5-amino-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4-diol.

Molecular Properties

Compound Name(3R,6S)-5-amino-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4-diol
PubChem CID131700365
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name(3R,6S)-5-amino-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4-diol
SMILESNC1C(O)[C@@H](O)C(CO)O[C@@H]1OCc1ccccc1
InChIInChI=1S/C13H19NO5/c14-10-12(17)11(16)9(6-15)19-13(10)18-7-8-4-2-1-3-5-8/h1-5,9-13,15-17H,6-7,14H2/t9?,10?,11-,12?,13-/m0/s1
InChIKeyZLTAXQWRKKWROR-PQZGQSDKSA-N
XLogP-1.03
TPSA105.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S,4S,5R,6S)-4-amino-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,5-diol
CID 93088189
(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol
CID 54063014
(3S,5S,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 45038278
(2S,3R,4R,5R,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 102431247
(4R,5S)-2-(hydroxymethyl)-5-methyl-6-phenylmethoxyoxane-3,4-diol
CID 129223206
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[[3-(phenylmethoxymethyl)-5-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenyl]methoxy]oxane-3,4,5-triol
CID 102068966
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]-1-phenylmethoxymethanimidate
CID 165430140
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(4-hydroxyphenyl)methoxy]oxane-3,4,5-triol
CID 102329612
(2S,3S,4S,5S,6S)-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol
CID 91699471
(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,6S)-3,5-diamino-6-phenylmethoxyoxan-2-yl]methanol
CID 131227318
[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl] acetate
CID 67926222

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-5-amino-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4-diol?
The IUPAC name of (3R,6S)-5-amino-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4-diol (CID 131700365) is (3R,6S)-5-amino-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4-diol.
What is the SMILES notation for (3R,6S)-5-amino-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4-diol?
The canonical SMILES for (3R,6S)-5-amino-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4-diol is NC1C(O)[C@@H](O)C(CO)O[C@@H]1OCc1ccccc1.
What is the InChIKey of (3R,6S)-5-amino-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4-diol?
The InChIKey is ZLTAXQWRKKWROR-PQZGQSDKSA-N. The full InChI is InChI=1S/C13H19NO5/c14-10-12(17)11(16)9(6-15)19-13(10)18-7-8-4-2-1-3-5-8/h1-5,9-13,15-17H,6-7,14H2/t9?,10?,11-,12?,13-/m0/s1.
What are the key properties of (3R,6S)-5-amino-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4-diol?
(3R,6S)-5-amino-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4-diol has a molecular weight of 269.30 g/mol, XLogP of -1.03, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-5-amino-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4-diol is sourced from PubChem (CID 131700365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).