[2-hydroxy-2-(3,4,5,6-tetrahydroxyoxan-2-yl)ethyl] carbamate

C8H15NO8 — CID 18981096

IUPAC[2-hydroxy-2-(3,4,5,6-tetrahydroxyoxan-2-yl)ethyl] carbamate
SMILESNC(=O)OCC(O)C1OC(O)C(O)C(O)C1O
InChIInChI=1S/C8H15NO8/c9-8(15)16-1-2(10)6-4(12)3(11)5(13)7(14)17-6/h2-7,10-14H,1H2,(H2,9,15)
InChIKeyLOXIOYRQCFEOJY-UHFFFAOYSA-N
MW253.21 g/mol
LogP-3.76
Rot. Bonds3

About [2-hydroxy-2-(3,4,5,6-tetrahydroxyoxan-2-yl)ethyl] carbamate

[2-hydroxy-2-(3,4,5,6-tetrahydroxyoxan-2-yl)ethyl] carbamate (PubChem CID 18981096) has the molecular formula C8H15NO8 and a molecular weight of 253.21 g/mol. Its IUPAC name is [2-hydroxy-2-(3,4,5,6-tetrahydroxyoxan-2-yl)ethyl] carbamate.

Molecular Properties

Compound Name[2-hydroxy-2-(3,4,5,6-tetrahydroxyoxan-2-yl)ethyl] carbamate
PubChem CID18981096
Molecular FormulaC8H15NO8
Molecular Weight253.21 g/mol
Exact Mass253.08
IUPAC Name[2-hydroxy-2-(3,4,5,6-tetrahydroxyoxan-2-yl)ethyl] carbamate
SMILESNC(=O)OCC(O)C1OC(O)C(O)C(O)C1O
InChIInChI=1S/C8H15NO8/c9-8(15)16-1-2(10)6-4(12)3(11)5(13)7(14)17-6/h2-7,10-14H,1H2,(H2,9,15)
InChIKeyLOXIOYRQCFEOJY-UHFFFAOYSA-N
XLogP-3.76
TPSA162.70 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.21
LogP ≤ 5-3.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-2-(3,4,5,6-tetrahydroxyoxan-2-yl)ethyl] carbamate?
The IUPAC name of [2-hydroxy-2-(3,4,5,6-tetrahydroxyoxan-2-yl)ethyl] carbamate (CID 18981096) is [2-hydroxy-2-(3,4,5,6-tetrahydroxyoxan-2-yl)ethyl] carbamate.
What is the SMILES notation for [2-hydroxy-2-(3,4,5,6-tetrahydroxyoxan-2-yl)ethyl] carbamate?
The canonical SMILES for [2-hydroxy-2-(3,4,5,6-tetrahydroxyoxan-2-yl)ethyl] carbamate is NC(=O)OCC(O)C1OC(O)C(O)C(O)C1O.
What is the InChIKey of [2-hydroxy-2-(3,4,5,6-tetrahydroxyoxan-2-yl)ethyl] carbamate?
The InChIKey is LOXIOYRQCFEOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO8/c9-8(15)16-1-2(10)6-4(12)3(11)5(13)7(14)17-6/h2-7,10-14H,1H2,(H2,9,15).
What are the key properties of [2-hydroxy-2-(3,4,5,6-tetrahydroxyoxan-2-yl)ethyl] carbamate?
[2-hydroxy-2-(3,4,5,6-tetrahydroxyoxan-2-yl)ethyl] carbamate has a molecular weight of 253.21 g/mol, XLogP of -3.76, 3 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-2-(3,4,5,6-tetrahydroxyoxan-2-yl)ethyl] carbamate is sourced from PubChem (CID 18981096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).