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

C10H19NO7 — CID 10785947

IUPAC(3R,4R,5S,6R)-3-[(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESOC[C@H]1OC(O)[C@H]([C@H]2NC[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H19NO7/c12-2-4-8(15)9(16)5(10(17)18-4)6-7(14)3(13)1-11-6/h3-17H,1-2H2/t3-,4+,5+,6+,7-,8+,9+,10?/m0/s1
InChIKeyXYMGJHIUSBWMQG-XSNNITIPSA-N
MW265.26 g/mol
LogP-4.27
Rot. Bonds2

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

(3R,4R,5S,6R)-3-[(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]-6-(hydroxymethyl)oxane-2,4,5-triol (PubChem CID 10785947) has the molecular formula C10H19NO7 and a molecular weight of 265.26 g/mol. Its IUPAC name is (3R,4R,5S,6R)-3-[(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]-6-(hydroxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name(3R,4R,5S,6R)-3-[(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]-6-(hydroxymethyl)oxane-2,4,5-triol
PubChem CID10785947
Molecular FormulaC10H19NO7
Molecular Weight265.26 g/mol
Exact Mass265.12
IUPAC Name(3R,4R,5S,6R)-3-[(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESOC[C@H]1OC(O)[C@H]([C@H]2NC[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H19NO7/c12-2-4-8(15)9(16)5(10(17)18-4)6-7(14)3(13)1-11-6/h3-17H,1-2H2/t3-,4+,5+,6+,7-,8+,9+,10?/m0/s1
InChIKeyXYMGJHIUSBWMQG-XSNNITIPSA-N
XLogP-4.27
TPSA142.64 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.26
LogP ≤ 5-4.27
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

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

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Related Compounds

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CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
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(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(3R,4S,5R,6R)-4-[(S)-[(2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-hydroxymethyl]-6-(hydroxymethyl)oxane-2,3,5-triol
CID 10803800
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6R)-3-[(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]-6-(hydroxymethyl)oxane-2,4,5-triol?
The IUPAC name of (3R,4R,5S,6R)-3-[(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]-6-(hydroxymethyl)oxane-2,4,5-triol (CID 10785947) is (3R,4R,5S,6R)-3-[(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]-6-(hydroxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for (3R,4R,5S,6R)-3-[(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]-6-(hydroxymethyl)oxane-2,4,5-triol?
The canonical SMILES for (3R,4R,5S,6R)-3-[(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]-6-(hydroxymethyl)oxane-2,4,5-triol is OC[C@H]1OC(O)[C@H]([C@H]2NC[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4R,5S,6R)-3-[(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]-6-(hydroxymethyl)oxane-2,4,5-triol?
The InChIKey is XYMGJHIUSBWMQG-XSNNITIPSA-N. The full InChI is InChI=1S/C10H19NO7/c12-2-4-8(15)9(16)5(10(17)18-4)6-7(14)3(13)1-11-6/h3-17H,1-2H2/t3-,4+,5+,6+,7-,8+,9+,10?/m0/s1.
What are the key properties of (3R,4R,5S,6R)-3-[(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]-6-(hydroxymethyl)oxane-2,4,5-triol?
(3R,4R,5S,6R)-3-[(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]-6-(hydroxymethyl)oxane-2,4,5-triol has a molecular weight of 265.26 g/mol, XLogP of -4.27, 2 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6R)-3-[(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]-6-(hydroxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 10785947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).