(2S,3S,4S)-1,2-bis(hydroxymethyl)pyrrolidine-3,4-diol

C6H13NO4 — CID 67860397

IUPAC(2S,3S,4S)-1,2-bis(hydroxymethyl)pyrrolidine-3,4-diol
SMILESOC[C@H]1[C@H](O)[C@@H](O)CN1CO
InChIInChI=1S/C6H13NO4/c8-2-4-6(11)5(10)1-7(4)3-9/h4-6,8-11H,1-3H2/t4-,5-,6-/m0/s1
InChIKeyNDLMGGQMGXWZPT-ZLUOBGJFSA-N
MW163.17 g/mol
LogP-2.67
Rot. Bonds2

About (2S,3S,4S)-1,2-bis(hydroxymethyl)pyrrolidine-3,4-diol

(2S,3S,4S)-1,2-bis(hydroxymethyl)pyrrolidine-3,4-diol (PubChem CID 67860397) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is (2S,3S,4S)-1,2-bis(hydroxymethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S)-1,2-bis(hydroxymethyl)pyrrolidine-3,4-diol
PubChem CID67860397
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name(2S,3S,4S)-1,2-bis(hydroxymethyl)pyrrolidine-3,4-diol
SMILESOC[C@H]1[C@H](O)[C@@H](O)CN1CO
InChIInChI=1S/C6H13NO4/c8-2-4-6(11)5(10)1-7(4)3-9/h4-6,8-11H,1-3H2/t4-,5-,6-/m0/s1
InChIKeyNDLMGGQMGXWZPT-ZLUOBGJFSA-N
XLogP-2.67
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-2.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-1,2-bis(hydroxymethyl)pyrrolidine-3,4-diol?
The IUPAC name of (2S,3S,4S)-1,2-bis(hydroxymethyl)pyrrolidine-3,4-diol (CID 67860397) is (2S,3S,4S)-1,2-bis(hydroxymethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2S,3S,4S)-1,2-bis(hydroxymethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (2S,3S,4S)-1,2-bis(hydroxymethyl)pyrrolidine-3,4-diol is OC[C@H]1[C@H](O)[C@@H](O)CN1CO.
What is the InChIKey of (2S,3S,4S)-1,2-bis(hydroxymethyl)pyrrolidine-3,4-diol?
The InChIKey is NDLMGGQMGXWZPT-ZLUOBGJFSA-N. The full InChI is InChI=1S/C6H13NO4/c8-2-4-6(11)5(10)1-7(4)3-9/h4-6,8-11H,1-3H2/t4-,5-,6-/m0/s1.
What are the key properties of (2S,3S,4S)-1,2-bis(hydroxymethyl)pyrrolidine-3,4-diol?
(2S,3S,4S)-1,2-bis(hydroxymethyl)pyrrolidine-3,4-diol has a molecular weight of 163.17 g/mol, XLogP of -2.67, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-1,2-bis(hydroxymethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 67860397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).