(1R,2R,3R,6S,7S)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol

C8H15NO5 — CID 67405712

IUPAC(1R,2R,3R,6S,7S)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)C2[C@H](O)[C@@H](O)CN21
InChIInChI=1S/C8H15NO5/c10-2-3-6(12)8(14)5-7(13)4(11)1-9(3)5/h3-8,10-14H,1-2H2/t3-,4+,5?,6-,7-,8-/m1/s1
InChIKeyAXTGOJVKRHFYBT-VNBQHTCMSA-N
MW205.21 g/mol
LogP-3.51
Rot. Bonds1

About (1R,2R,3R,6S,7S)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol

(1R,2R,3R,6S,7S)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol (PubChem CID 67405712) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is (1R,2R,3R,6S,7S)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol.

Molecular Properties

Compound Name(1R,2R,3R,6S,7S)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol
PubChem CID67405712
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name(1R,2R,3R,6S,7S)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)C2[C@H](O)[C@@H](O)CN21
InChIInChI=1S/C8H15NO5/c10-2-3-6(12)8(14)5-7(13)4(11)1-9(3)5/h3-8,10-14H,1-2H2/t3-,4+,5?,6-,7-,8-/m1/s1
InChIKeyAXTGOJVKRHFYBT-VNBQHTCMSA-N
XLogP-3.51
TPSA104.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-3.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,6S,7S)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol?
The IUPAC name of (1R,2R,3R,6S,7S)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol (CID 67405712) is (1R,2R,3R,6S,7S)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol.
What is the SMILES notation for (1R,2R,3R,6S,7S)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol?
The canonical SMILES for (1R,2R,3R,6S,7S)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol is OC[C@@H]1[C@@H](O)[C@H](O)C2[C@H](O)[C@@H](O)CN21.
What is the InChIKey of (1R,2R,3R,6S,7S)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol?
The InChIKey is AXTGOJVKRHFYBT-VNBQHTCMSA-N. The full InChI is InChI=1S/C8H15NO5/c10-2-3-6(12)8(14)5-7(13)4(11)1-9(3)5/h3-8,10-14H,1-2H2/t3-,4+,5?,6-,7-,8-/m1/s1.
What are the key properties of (1R,2R,3R,6S,7S)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol?
(1R,2R,3R,6S,7S)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol has a molecular weight of 205.21 g/mol, XLogP of -3.51, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,6S,7S)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol is sourced from PubChem (CID 67405712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).