[(2R,3S,5R)-3-hydroxy-5-pyrrolo[3,2-c]pyridin-1-yloxolan-2-yl]methyl sulfamate

C12H15N3O5S — CID 11996604

IUPAC[(2R,3S,5R)-3-hydroxy-5-pyrrolo[3,2-c]pyridin-1-yloxolan-2-yl]methyl sulfamate
SMILESNS(=O)(=O)OC[C@H]1O[C@@H](n2ccc3cnccc32)C[C@@H]1O
InChIInChI=1S/C12H15N3O5S/c13-21(17,18)19-7-11-10(16)5-12(20-11)15-4-2-8-6-14-3-1-9(8)15/h1-4,6,10-12,16H,5,7H2,(H2,13,17,18)/t10-,11+,12+/m0/s1
InChIKeyKLIKIZNMOBUAOR-QJPTWQEYSA-N
MW313.33 g/mol
LogP-0.10
Rot. Bonds4

About [(2R,3S,5R)-3-hydroxy-5-pyrrolo[3,2-c]pyridin-1-yloxolan-2-yl]methyl sulfamate

[(2R,3S,5R)-3-hydroxy-5-pyrrolo[3,2-c]pyridin-1-yloxolan-2-yl]methyl sulfamate (PubChem CID 11996604) has the molecular formula C12H15N3O5S and a molecular weight of 313.33 g/mol. Its IUPAC name is [(2R,3S,5R)-3-hydroxy-5-pyrrolo[3,2-c]pyridin-1-yloxolan-2-yl]methyl sulfamate.

Molecular Properties

Compound Name[(2R,3S,5R)-3-hydroxy-5-pyrrolo[3,2-c]pyridin-1-yloxolan-2-yl]methyl sulfamate
PubChem CID11996604
Molecular FormulaC12H15N3O5S
Molecular Weight313.33 g/mol
Exact Mass313.07
IUPAC Name[(2R,3S,5R)-3-hydroxy-5-pyrrolo[3,2-c]pyridin-1-yloxolan-2-yl]methyl sulfamate
SMILESNS(=O)(=O)OC[C@H]1O[C@@H](n2ccc3cnccc32)C[C@@H]1O
InChIInChI=1S/C12H15N3O5S/c13-21(17,18)19-7-11-10(16)5-12(20-11)15-4-2-8-6-14-3-1-9(8)15/h1-4,6,10-12,16H,5,7H2,(H2,13,17,18)/t10-,11+,12+/m0/s1
InChIKeyKLIKIZNMOBUAOR-QJPTWQEYSA-N
XLogP-0.10
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(2R,3S,5R)-3-hydroxy-5-pyrrolo[3,2-c]pyridin-1-yloxolan-2-yl]methyl sulfamate with MolForge

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Related Compounds

4-methyl-2-[(2R,3S,5R)-2-[(4-methylbenzoyl)oxymethyl]-5-pyrrolo[3,2-c]pyridin-1-yloxolan-3-yl]benzoic acid
CID 67222377
[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hypobromite
CID 57150003
[(2S,3S)-5-[6-(benzylamino)purin-9-yl]-3-hydroxyoxolan-2-yl]methyl sulfamate
CID 121440976
[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 624
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(methylperoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 18644771
[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;hydrate
CID 71317334
[[(2R,3S,5R)-5-(5-fluoroindol-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 72699252
[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphate
CID 25323089
ethane;4-hydroxy-1-[(2R,4R,5R)-4-hydroxy-5-(phosphanyloxymethyl)oxolan-2-yl]pyrimidin-2-one;yttrium
CID 173489446
[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl benzoate
CID 57011144
4-amino-1-[(2R,4S,5R)-5-[[amino(hydroxy)phosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 67722276
4-(15N)azanyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4,1,3-15N2)pyrimidin-2-one
CID 123353107

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-3-hydroxy-5-pyrrolo[3,2-c]pyridin-1-yloxolan-2-yl]methyl sulfamate?
The IUPAC name of [(2R,3S,5R)-3-hydroxy-5-pyrrolo[3,2-c]pyridin-1-yloxolan-2-yl]methyl sulfamate (CID 11996604) is [(2R,3S,5R)-3-hydroxy-5-pyrrolo[3,2-c]pyridin-1-yloxolan-2-yl]methyl sulfamate.
What is the SMILES notation for [(2R,3S,5R)-3-hydroxy-5-pyrrolo[3,2-c]pyridin-1-yloxolan-2-yl]methyl sulfamate?
The canonical SMILES for [(2R,3S,5R)-3-hydroxy-5-pyrrolo[3,2-c]pyridin-1-yloxolan-2-yl]methyl sulfamate is NS(=O)(=O)OC[C@H]1O[C@@H](n2ccc3cnccc32)C[C@@H]1O.
What is the InChIKey of [(2R,3S,5R)-3-hydroxy-5-pyrrolo[3,2-c]pyridin-1-yloxolan-2-yl]methyl sulfamate?
The InChIKey is KLIKIZNMOBUAOR-QJPTWQEYSA-N. The full InChI is InChI=1S/C12H15N3O5S/c13-21(17,18)19-7-11-10(16)5-12(20-11)15-4-2-8-6-14-3-1-9(8)15/h1-4,6,10-12,16H,5,7H2,(H2,13,17,18)/t10-,11+,12+/m0/s1.
What are the key properties of [(2R,3S,5R)-3-hydroxy-5-pyrrolo[3,2-c]pyridin-1-yloxolan-2-yl]methyl sulfamate?
[(2R,3S,5R)-3-hydroxy-5-pyrrolo[3,2-c]pyridin-1-yloxolan-2-yl]methyl sulfamate has a molecular weight of 313.33 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5R)-3-hydroxy-5-pyrrolo[3,2-c]pyridin-1-yloxolan-2-yl]methyl sulfamate is sourced from PubChem (CID 11996604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).