[(2R,3S,4R,5R)-3,4-dihydroxy-5-indol-1-yloxolan-2-yl]methyl sulfamate

C13H16N2O6S — CID 11960355

IUPAC[(2R,3S,4R,5R)-3,4-dihydroxy-5-indol-1-yloxolan-2-yl]methyl sulfamate
SMILESNS(=O)(=O)OC[C@H]1O[C@@H](n2ccc3ccccc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H16N2O6S/c14-22(18,19)20-7-10-11(16)12(17)13(21-10)15-6-5-8-3-1-2-4-9(8)15/h1-6,10-13,16-17H,7H2,(H2,14,18,19)/t10-,11-,12-,13-/m1/s1
InChIKeyARLWPWONUPISHW-FDYHWXHSSA-N
MW328.35 g/mol
LogP-0.52
Rot. Bonds4

About [(2R,3S,4R,5R)-3,4-dihydroxy-5-indol-1-yloxolan-2-yl]methyl sulfamate

[(2R,3S,4R,5R)-3,4-dihydroxy-5-indol-1-yloxolan-2-yl]methyl sulfamate (PubChem CID 11960355) has the molecular formula C13H16N2O6S and a molecular weight of 328.35 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-3,4-dihydroxy-5-indol-1-yloxolan-2-yl]methyl sulfamate.

Molecular Properties

Compound Name[(2R,3S,4R,5R)-3,4-dihydroxy-5-indol-1-yloxolan-2-yl]methyl sulfamate
PubChem CID11960355
Molecular FormulaC13H16N2O6S
Molecular Weight328.35 g/mol
Exact Mass328.07
IUPAC Name[(2R,3S,4R,5R)-3,4-dihydroxy-5-indol-1-yloxolan-2-yl]methyl sulfamate
SMILESNS(=O)(=O)OC[C@H]1O[C@@H](n2ccc3ccccc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H16N2O6S/c14-22(18,19)20-7-10-11(16)12(17)13(21-10)15-6-5-8-3-1-2-4-9(8)15/h1-6,10-13,16-17H,7H2,(H2,14,18,19)/t10-,11-,12-,13-/m1/s1
InChIKeyARLWPWONUPISHW-FDYHWXHSSA-N
XLogP-0.52
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(2R,3S,4R,5R)-3,4-dihydroxy-5-indol-1-yloxolan-2-yl]methyl sulfamate with MolForge

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Related Compounds

[(2R,3S,5R)-3-hydroxy-5-pyrrolo[3,2-c]pyridin-1-yloxolan-2-yl]methyl sulfamate
CID 11996604
[5-(3-cyano-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
CID 14443577
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfamate
CID 53322463
1-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]quinolin-4-one
CID 118450077
4-amino-1-[(2R,3R,4S,5R)-5-[[amino(methoxy)phosphanyl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
CID 67679738
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(pyridin-2-ylmethylamino)purin-9-yl]oxolan-2-yl]methyl sulfamate
CID 170721879
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl propyl sulfate
CID 175366058
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-nitroindol-1-yl)oxolane-3,4-diol
CID 14703262
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxyphosphonamidous acid
CID 22885886
[(2R,3S,4R,5R)-5-(6-amino-2-phenylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-(2-hydroxybenzoyl)sulfamate
CID 25053418
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(propylamino)purin-9-yl]oxolan-2-yl]methyl sulfamate
CID 70689548
[(2R,3S,4R,5R)-5-(4-amino-3-ethenylpyrazolo[3,4-d]pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
CID 153295301

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-3,4-dihydroxy-5-indol-1-yloxolan-2-yl]methyl sulfamate?
The IUPAC name of [(2R,3S,4R,5R)-3,4-dihydroxy-5-indol-1-yloxolan-2-yl]methyl sulfamate (CID 11960355) is [(2R,3S,4R,5R)-3,4-dihydroxy-5-indol-1-yloxolan-2-yl]methyl sulfamate.
What is the SMILES notation for [(2R,3S,4R,5R)-3,4-dihydroxy-5-indol-1-yloxolan-2-yl]methyl sulfamate?
The canonical SMILES for [(2R,3S,4R,5R)-3,4-dihydroxy-5-indol-1-yloxolan-2-yl]methyl sulfamate is NS(=O)(=O)OC[C@H]1O[C@@H](n2ccc3ccccc32)[C@H](O)[C@@H]1O.
What is the InChIKey of [(2R,3S,4R,5R)-3,4-dihydroxy-5-indol-1-yloxolan-2-yl]methyl sulfamate?
The InChIKey is ARLWPWONUPISHW-FDYHWXHSSA-N. The full InChI is InChI=1S/C13H16N2O6S/c14-22(18,19)20-7-10-11(16)12(17)13(21-10)15-6-5-8-3-1-2-4-9(8)15/h1-6,10-13,16-17H,7H2,(H2,14,18,19)/t10-,11-,12-,13-/m1/s1.
What are the key properties of [(2R,3S,4R,5R)-3,4-dihydroxy-5-indol-1-yloxolan-2-yl]methyl sulfamate?
[(2R,3S,4R,5R)-3,4-dihydroxy-5-indol-1-yloxolan-2-yl]methyl sulfamate has a molecular weight of 328.35 g/mol, XLogP of -0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R)-3,4-dihydroxy-5-indol-1-yloxolan-2-yl]methyl sulfamate is sourced from PubChem (CID 11960355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).