(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylpyrrol-2-yl)oxyoxane-3,4,5-triol

C16H19NO6 — CID 174773100

IUPAC(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylpyrrol-2-yl)oxyoxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](Oc2cccn2-c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H19NO6/c18-9-11-13(19)14(20)15(21)16(22-11)23-12-7-4-8-17(12)10-5-2-1-3-6-10/h1-8,11,13-16,18-21H,9H2/t11-,13-,14+,15-,16+/m1/s1
InChIKeyYVPFQWYDXHGDNE-JZYAIQKZSA-N
MW321.33 g/mol
LogP-0.34
Rot. Bonds4

About (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylpyrrol-2-yl)oxyoxane-3,4,5-triol

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylpyrrol-2-yl)oxyoxane-3,4,5-triol (PubChem CID 174773100) has the molecular formula C16H19NO6 and a molecular weight of 321.33 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylpyrrol-2-yl)oxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylpyrrol-2-yl)oxyoxane-3,4,5-triol
PubChem CID174773100
Molecular FormulaC16H19NO6
Molecular Weight321.33 g/mol
Exact Mass321.12
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylpyrrol-2-yl)oxyoxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](Oc2cccn2-c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H19NO6/c18-9-11-13(19)14(20)15(21)16(22-11)23-12-7-4-8-17(12)10-5-2-1-3-6-10/h1-8,11,13-16,18-21H,9H2/t11-,13-,14+,15-,16+/m1/s1
InChIKeyYVPFQWYDXHGDNE-JZYAIQKZSA-N
XLogP-0.34
TPSA104.31 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylpyrrol-2-yl)oxyoxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
CID 91598575
(4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
CID 51340684
(2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol
CID 70003357
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 70179974
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 742489
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
CID 21252322
(3S,4S,5S,6R)-2-(2-aminophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 68735810
(2S,3S,4R,5S,6S)-2-(2-chlorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7164150
2-(hydroxymethyl)-6-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol;methane
CID 159395031
2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetic acid
CID 10979933
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 54569433
(2R,3R,4S,5S,6R)-2-diphenylphosphanyloxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67777099

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylpyrrol-2-yl)oxyoxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylpyrrol-2-yl)oxyoxane-3,4,5-triol (CID 174773100) is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylpyrrol-2-yl)oxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylpyrrol-2-yl)oxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylpyrrol-2-yl)oxyoxane-3,4,5-triol is OC[C@H]1O[C@@H](Oc2cccn2-c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylpyrrol-2-yl)oxyoxane-3,4,5-triol?
The InChIKey is YVPFQWYDXHGDNE-JZYAIQKZSA-N. The full InChI is InChI=1S/C16H19NO6/c18-9-11-13(19)14(20)15(21)16(22-11)23-12-7-4-8-17(12)10-5-2-1-3-6-10/h1-8,11,13-16,18-21H,9H2/t11-,13-,14+,15-,16+/m1/s1.
What are the key properties of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylpyrrol-2-yl)oxyoxane-3,4,5-triol?
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylpyrrol-2-yl)oxyoxane-3,4,5-triol has a molecular weight of 321.33 g/mol, XLogP of -0.34, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylpyrrol-2-yl)oxyoxane-3,4,5-triol is sourced from PubChem (CID 174773100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).