(2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-4-(hydroxymethyl)pyrrolidine-3,4-diol

C7H15NO5 — CID 45254640

IUPAC(2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-4-(hydroxymethyl)pyrrolidine-3,4-diol
SMILESOC[C@H](O)[C@@H]1NC[C@@](O)(CO)[C@H]1O
InChIInChI=1S/C7H15NO5/c9-1-4(11)5-6(12)7(13,3-10)2-8-5/h4-6,8-13H,1-3H2/t4-,5-,6-,7+/m0/s1
InChIKeyZGYNMLRSGMTNPI-ZTYPAOSTSA-N
MW193.20 g/mol
LogP-3.60
Rot. Bonds3

About (2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-4-(hydroxymethyl)pyrrolidine-3,4-diol

(2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-4-(hydroxymethyl)pyrrolidine-3,4-diol (PubChem CID 45254640) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is (2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-4-(hydroxymethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-4-(hydroxymethyl)pyrrolidine-3,4-diol
PubChem CID45254640
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name(2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-4-(hydroxymethyl)pyrrolidine-3,4-diol
SMILESOC[C@H](O)[C@@H]1NC[C@@](O)(CO)[C@H]1O
InChIInChI=1S/C7H15NO5/c9-1-4(11)5-6(12)7(13,3-10)2-8-5/h4-6,8-13H,1-3H2/t4-,5-,6-,7+/m0/s1
InChIKeyZGYNMLRSGMTNPI-ZTYPAOSTSA-N
XLogP-3.60
TPSA113.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500193.20
LogP ≤ 5-3.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-4-(hydroxymethyl)pyrrolidine-3,4-diol?
The IUPAC name of (2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-4-(hydroxymethyl)pyrrolidine-3,4-diol (CID 45254640) is (2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-4-(hydroxymethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-4-(hydroxymethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-4-(hydroxymethyl)pyrrolidine-3,4-diol is OC[C@H](O)[C@@H]1NC[C@@](O)(CO)[C@H]1O.
What is the InChIKey of (2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-4-(hydroxymethyl)pyrrolidine-3,4-diol?
The InChIKey is ZGYNMLRSGMTNPI-ZTYPAOSTSA-N. The full InChI is InChI=1S/C7H15NO5/c9-1-4(11)5-6(12)7(13,3-10)2-8-5/h4-6,8-13H,1-3H2/t4-,5-,6-,7+/m0/s1.
What are the key properties of (2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-4-(hydroxymethyl)pyrrolidine-3,4-diol?
(2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-4-(hydroxymethyl)pyrrolidine-3,4-diol has a molecular weight of 193.20 g/mol, XLogP of -3.60, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]-4-(hydroxymethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 45254640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).