[(3R)-1-[[(2S,3S,4S)-3,4,5-trihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]sulfonyl]pyrrolidin-3-yl] sulfamate

C10H18N2O10S2 — CID 78673853

IUPAC[(3R)-1-[[(2S,3S,4S)-3,4,5-trihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]sulfonyl]pyrrolidin-3-yl] sulfamate
SMILESNS(=O)(=O)O[C@@H]1CCN(S(=O)(=O)C2=C(O)[C@@H](O)[C@H](O)[C@H](CO)O2)C1
InChIInChI=1S/C10H18N2O10S2/c11-24(19,20)22-5-1-2-12(3-5)23(17,18)10-9(16)8(15)7(14)6(4-13)21-10/h5-8,13-16H,1-4H2,(H2,11,19,20)/t5-,6+,7-,8+/m1/s1
InChIKeyYZNISKRKMURUAF-CWKFCGSDSA-N
MW390.39 g/mol
LogP-3.55
Rot. Bonds5

About [(3R)-1-[[(2S,3S,4S)-3,4,5-trihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]sulfonyl]pyrrolidin-3-yl] sulfamate

[(3R)-1-[[(2S,3S,4S)-3,4,5-trihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]sulfonyl]pyrrolidin-3-yl] sulfamate (PubChem CID 78673853) has the molecular formula C10H18N2O10S2 and a molecular weight of 390.39 g/mol. Its IUPAC name is [(3R)-1-[[(2S,3S,4S)-3,4,5-trihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]sulfonyl]pyrrolidin-3-yl] sulfamate.

Molecular Properties

Compound Name[(3R)-1-[[(2S,3S,4S)-3,4,5-trihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]sulfonyl]pyrrolidin-3-yl] sulfamate
PubChem CID78673853
Molecular FormulaC10H18N2O10S2
Molecular Weight390.39 g/mol
Exact Mass390.04
IUPAC Name[(3R)-1-[[(2S,3S,4S)-3,4,5-trihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]sulfonyl]pyrrolidin-3-yl] sulfamate
SMILESNS(=O)(=O)O[C@@H]1CCN(S(=O)(=O)C2=C(O)[C@@H](O)[C@H](O)[C@H](CO)O2)C1
InChIInChI=1S/C10H18N2O10S2/c11-24(19,20)22-5-1-2-12(3-5)23(17,18)10-9(16)8(15)7(14)6(4-13)21-10/h5-8,13-16H,1-4H2,(H2,11,19,20)/t5-,6+,7-,8+/m1/s1
InChIKeyYZNISKRKMURUAF-CWKFCGSDSA-N
XLogP-3.55
TPSA196.92 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 5-3.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze [(3R)-1-[[(2S,3S,4S)-3,4,5-trihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]sulfonyl]pyrrolidin-3-yl] sulfamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[[(2S,3S,4S)-3,4,5-trihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]sulfonyl]pyrrolidin-3-yl] sulfamate?
The IUPAC name of [(3R)-1-[[(2S,3S,4S)-3,4,5-trihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]sulfonyl]pyrrolidin-3-yl] sulfamate (CID 78673853) is [(3R)-1-[[(2S,3S,4S)-3,4,5-trihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]sulfonyl]pyrrolidin-3-yl] sulfamate.
What is the SMILES notation for [(3R)-1-[[(2S,3S,4S)-3,4,5-trihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]sulfonyl]pyrrolidin-3-yl] sulfamate?
The canonical SMILES for [(3R)-1-[[(2S,3S,4S)-3,4,5-trihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]sulfonyl]pyrrolidin-3-yl] sulfamate is NS(=O)(=O)O[C@@H]1CCN(S(=O)(=O)C2=C(O)[C@@H](O)[C@H](O)[C@H](CO)O2)C1.
What is the InChIKey of [(3R)-1-[[(2S,3S,4S)-3,4,5-trihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]sulfonyl]pyrrolidin-3-yl] sulfamate?
The InChIKey is YZNISKRKMURUAF-CWKFCGSDSA-N. The full InChI is InChI=1S/C10H18N2O10S2/c11-24(19,20)22-5-1-2-12(3-5)23(17,18)10-9(16)8(15)7(14)6(4-13)21-10/h5-8,13-16H,1-4H2,(H2,11,19,20)/t5-,6+,7-,8+/m1/s1.
What are the key properties of [(3R)-1-[[(2S,3S,4S)-3,4,5-trihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]sulfonyl]pyrrolidin-3-yl] sulfamate?
[(3R)-1-[[(2S,3S,4S)-3,4,5-trihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]sulfonyl]pyrrolidin-3-yl] sulfamate has a molecular weight of 390.39 g/mol, XLogP of -3.55, 5 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[[(2S,3S,4S)-3,4,5-trihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]sulfonyl]pyrrolidin-3-yl] sulfamate is sourced from PubChem (CID 78673853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).