(3R,4S,5R,6R)-4-[(S)-[(2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-hydroxymethyl]-6-(hydroxymethyl)oxane-2,3,5-triol

C11H21NO8 — CID 10803800

IUPAC(3R,4S,5R,6R)-4-[(S)-[(2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-hydroxymethyl]-6-(hydroxymethyl)oxane-2,3,5-triol
SMILESOC[C@H]1OC(O)[C@H](O)[C@@H]([C@H](O)[C@@H]2NC[C@@H](O)[C@H]2O)[C@H]1O
InChIInChI=1S/C11H21NO8/c13-2-4-8(16)5(10(18)11(19)20-4)9(17)6-7(15)3(14)1-12-6/h3-19H,1-2H2/t3-,4-,5-,6-,7-,8+,9+,10-,11?/m1/s1
InChIKeyUBZKRZZOBAAKDP-DPOJDXKJSA-N
MW295.29 g/mol
LogP-4.91
Rot. Bonds3

About (3R,4S,5R,6R)-4-[(S)-[(2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-hydroxymethyl]-6-(hydroxymethyl)oxane-2,3,5-triol

(3R,4S,5R,6R)-4-[(S)-[(2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-hydroxymethyl]-6-(hydroxymethyl)oxane-2,3,5-triol (PubChem CID 10803800) has the molecular formula C11H21NO8 and a molecular weight of 295.29 g/mol. Its IUPAC name is (3R,4S,5R,6R)-4-[(S)-[(2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-hydroxymethyl]-6-(hydroxymethyl)oxane-2,3,5-triol.

Molecular Properties

Compound Name(3R,4S,5R,6R)-4-[(S)-[(2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-hydroxymethyl]-6-(hydroxymethyl)oxane-2,3,5-triol
PubChem CID10803800
Molecular FormulaC11H21NO8
Molecular Weight295.29 g/mol
Exact Mass295.13
IUPAC Name(3R,4S,5R,6R)-4-[(S)-[(2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-hydroxymethyl]-6-(hydroxymethyl)oxane-2,3,5-triol
SMILESOC[C@H]1OC(O)[C@H](O)[C@@H]([C@H](O)[C@@H]2NC[C@@H](O)[C@H]2O)[C@H]1O
InChIInChI=1S/C11H21NO8/c13-2-4-8(16)5(10(18)11(19)20-4)9(17)6-7(15)3(14)1-12-6/h3-19H,1-2H2/t3-,4-,5-,6-,7-,8+,9+,10-,11?/m1/s1
InChIKeyUBZKRZZOBAAKDP-DPOJDXKJSA-N
XLogP-4.91
TPSA162.87 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.29
LogP ≤ 5-4.91
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Analyze (3R,4S,5R,6R)-4-[(S)-[(2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-hydroxymethyl]-6-(hydroxymethyl)oxane-2,3,5-triol with MolForge

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Related Compounds

(2R,3R,4S)-2-[(R)-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-hydroxymethyl]pyrrolidine-3,4-diol
CID 101411079
(2S,5S)-2-[hydroxy-[(2R,5R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-6-methylpiperidine-3,4,5-triol
CID 137301084
(3R,4R,5S,6R)-3-[(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]-6-(hydroxymethyl)oxane-2,4,5-triol
CID 10785947
(2R,3S,4R)-2-[(S)-[(2R,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-methoxyoxolan-3-yl]-hydroxymethyl]pyrrolidine-3,4-diol
CID 10733663
(2S)-4-(hydroxymethyl)oxetane-2,3-diol
CID 130341188
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3S,4R)-2-[(1R)-1-hydroxyethyl]pyrrolidine-3,4-diol
CID 101139975
5-(hydroxymethyl)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole-3,6,7-triol
CID 74394391
(3R,4S,5R,6S)-6-(hydroxymethyl)-5-[(S)-hydroxy-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol
CID 10021145
(3R,4S,5R,6S)-6-(hydroxymethyl)-5-[(R)-hydroxy-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxane-2,3,4-triol
CID 10338325
(2R,3R,4S,5S)-2-[(1R,2S)-1,2,3-trihydroxypropyl]piperidine-3,4,5-triol
CID 10656697

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6R)-4-[(S)-[(2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-hydroxymethyl]-6-(hydroxymethyl)oxane-2,3,5-triol?
The IUPAC name of (3R,4S,5R,6R)-4-[(S)-[(2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-hydroxymethyl]-6-(hydroxymethyl)oxane-2,3,5-triol (CID 10803800) is (3R,4S,5R,6R)-4-[(S)-[(2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-hydroxymethyl]-6-(hydroxymethyl)oxane-2,3,5-triol.
What is the SMILES notation for (3R,4S,5R,6R)-4-[(S)-[(2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-hydroxymethyl]-6-(hydroxymethyl)oxane-2,3,5-triol?
The canonical SMILES for (3R,4S,5R,6R)-4-[(S)-[(2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-hydroxymethyl]-6-(hydroxymethyl)oxane-2,3,5-triol is OC[C@H]1OC(O)[C@H](O)[C@@H]([C@H](O)[C@@H]2NC[C@@H](O)[C@H]2O)[C@H]1O.
What is the InChIKey of (3R,4S,5R,6R)-4-[(S)-[(2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-hydroxymethyl]-6-(hydroxymethyl)oxane-2,3,5-triol?
The InChIKey is UBZKRZZOBAAKDP-DPOJDXKJSA-N. The full InChI is InChI=1S/C11H21NO8/c13-2-4-8(16)5(10(18)11(19)20-4)9(17)6-7(15)3(14)1-12-6/h3-19H,1-2H2/t3-,4-,5-,6-,7-,8+,9+,10-,11?/m1/s1.
What are the key properties of (3R,4S,5R,6R)-4-[(S)-[(2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-hydroxymethyl]-6-(hydroxymethyl)oxane-2,3,5-triol?
(3R,4S,5R,6R)-4-[(S)-[(2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-hydroxymethyl]-6-(hydroxymethyl)oxane-2,3,5-triol has a molecular weight of 295.29 g/mol, XLogP of -4.91, 3 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6R)-4-[(S)-[(2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-hydroxymethyl]-6-(hydroxymethyl)oxane-2,3,5-triol is sourced from PubChem (CID 10803800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).