(2R,3S)-2-(hydroxymethyl)-6-(hydroxysulfamoylamino)-3,6-dihydro-2H-pyran-3-ol

C6H12N2O6S — CID 118716999

IUPAC(2R,3S)-2-(hydroxymethyl)-6-(hydroxysulfamoylamino)-3,6-dihydro-2H-pyran-3-ol
SMILESO=S(=O)(NO)NC1C=C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C6H12N2O6S/c9-3-5-4(10)1-2-6(14-5)7-15(12,13)8-11/h1-2,4-11H,3H2/t4-,5+,6?/m0/s1
InChIKeyYNOUTKZCIPELSY-YRZWDFBDSA-N
MW240.24 g/mol
LogP-2.57
Rot. Bonds4

About (2R,3S)-2-(hydroxymethyl)-6-(hydroxysulfamoylamino)-3,6-dihydro-2H-pyran-3-ol

(2R,3S)-2-(hydroxymethyl)-6-(hydroxysulfamoylamino)-3,6-dihydro-2H-pyran-3-ol (PubChem CID 118716999) has the molecular formula C6H12N2O6S and a molecular weight of 240.24 g/mol. Its IUPAC name is (2R,3S)-2-(hydroxymethyl)-6-(hydroxysulfamoylamino)-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-(hydroxymethyl)-6-(hydroxysulfamoylamino)-3,6-dihydro-2H-pyran-3-ol
PubChem CID118716999
Molecular FormulaC6H12N2O6S
Molecular Weight240.24 g/mol
Exact Mass240.04
IUPAC Name(2R,3S)-2-(hydroxymethyl)-6-(hydroxysulfamoylamino)-3,6-dihydro-2H-pyran-3-ol
SMILESO=S(=O)(NO)NC1C=C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C6H12N2O6S/c9-3-5-4(10)1-2-6(14-5)7-15(12,13)8-11/h1-2,4-11H,3H2/t4-,5+,6?/m0/s1
InChIKeyYNOUTKZCIPELSY-YRZWDFBDSA-N
XLogP-2.57
TPSA128.12 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 5-2.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-[(2R,3S)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]benzenesulfonamide
CID 155531090
(2R,3S,6S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol
CID 70300893
(2R,3R,6R)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-carbonitrile
CID 131854612
(2R)-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol
CID 163959935
(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;methanesulfonic acid
CID 173247961
(2R,3S,6S)-2-(hydroxymethyl)-6-(4-methylphenyl)-3,6-dihydro-2H-pyran-3-ol
CID 101460016
ethyl 2,2-difluoro-2-[(2R,3S)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetate
CID 102286206
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methylsulfonyloxane-3,4,5-triol
CID 70361694
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-methylphenyl)sulfonyloxane-3,4,5-triol
CID 131866199
sodium;hydride;[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamic acid
CID 175673129
sodium N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamate
CID 56923620
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(hydroxymethyl)-6-(hydroxysulfamoylamino)-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2R,3S)-2-(hydroxymethyl)-6-(hydroxysulfamoylamino)-3,6-dihydro-2H-pyran-3-ol (CID 118716999) is (2R,3S)-2-(hydroxymethyl)-6-(hydroxysulfamoylamino)-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2R,3S)-2-(hydroxymethyl)-6-(hydroxysulfamoylamino)-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2R,3S)-2-(hydroxymethyl)-6-(hydroxysulfamoylamino)-3,6-dihydro-2H-pyran-3-ol is O=S(=O)(NO)NC1C=C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3S)-2-(hydroxymethyl)-6-(hydroxysulfamoylamino)-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is YNOUTKZCIPELSY-YRZWDFBDSA-N. The full InChI is InChI=1S/C6H12N2O6S/c9-3-5-4(10)1-2-6(14-5)7-15(12,13)8-11/h1-2,4-11H,3H2/t4-,5+,6?/m0/s1.
What are the key properties of (2R,3S)-2-(hydroxymethyl)-6-(hydroxysulfamoylamino)-3,6-dihydro-2H-pyran-3-ol?
(2R,3S)-2-(hydroxymethyl)-6-(hydroxysulfamoylamino)-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 240.24 g/mol, XLogP of -2.57, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(hydroxymethyl)-6-(hydroxysulfamoylamino)-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 118716999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).