(1R,2R)-1-(3-amino-4-hydroxyoxan-2-yl)propane-1,2,3-triol

C8H17NO5 — CID 70867658

IUPAC(1R,2R)-1-(3-amino-4-hydroxyoxan-2-yl)propane-1,2,3-triol
SMILESNC1C(O)CCOC1[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H17NO5/c9-6-4(11)1-2-14-8(6)7(13)5(12)3-10/h4-8,10-13H,1-3,9H2/t4?,5-,6?,7-,8?/m1/s1
InChIKeyOFVAPPDNLHBFTC-PJAFSVDPSA-N
MW207.23 g/mol
LogP-2.82
Rot. Bonds3

About (1R,2R)-1-(3-amino-4-hydroxyoxan-2-yl)propane-1,2,3-triol

(1R,2R)-1-(3-amino-4-hydroxyoxan-2-yl)propane-1,2,3-triol (PubChem CID 70867658) has the molecular formula C8H17NO5 and a molecular weight of 207.23 g/mol. Its IUPAC name is (1R,2R)-1-(3-amino-4-hydroxyoxan-2-yl)propane-1,2,3-triol.

Molecular Properties

Compound Name(1R,2R)-1-(3-amino-4-hydroxyoxan-2-yl)propane-1,2,3-triol
PubChem CID70867658
Molecular FormulaC8H17NO5
Molecular Weight207.23 g/mol
Exact Mass207.11
IUPAC Name(1R,2R)-1-(3-amino-4-hydroxyoxan-2-yl)propane-1,2,3-triol
SMILESNC1C(O)CCOC1[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H17NO5/c9-6-4(11)1-2-14-8(6)7(13)5(12)3-10/h4-8,10-13H,1-3,9H2/t4?,5-,6?,7-,8?/m1/s1
InChIKeyOFVAPPDNLHBFTC-PJAFSVDPSA-N
XLogP-2.82
TPSA116.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-2.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(3-amino-4-hydroxyoxan-2-yl)propane-1,2,3-triol?
The IUPAC name of (1R,2R)-1-(3-amino-4-hydroxyoxan-2-yl)propane-1,2,3-triol (CID 70867658) is (1R,2R)-1-(3-amino-4-hydroxyoxan-2-yl)propane-1,2,3-triol.
What is the SMILES notation for (1R,2R)-1-(3-amino-4-hydroxyoxan-2-yl)propane-1,2,3-triol?
The canonical SMILES for (1R,2R)-1-(3-amino-4-hydroxyoxan-2-yl)propane-1,2,3-triol is NC1C(O)CCOC1[C@H](O)[C@H](O)CO.
What is the InChIKey of (1R,2R)-1-(3-amino-4-hydroxyoxan-2-yl)propane-1,2,3-triol?
The InChIKey is OFVAPPDNLHBFTC-PJAFSVDPSA-N. The full InChI is InChI=1S/C8H17NO5/c9-6-4(11)1-2-14-8(6)7(13)5(12)3-10/h4-8,10-13H,1-3,9H2/t4?,5-,6?,7-,8?/m1/s1.
What are the key properties of (1R,2R)-1-(3-amino-4-hydroxyoxan-2-yl)propane-1,2,3-triol?
(1R,2R)-1-(3-amino-4-hydroxyoxan-2-yl)propane-1,2,3-triol has a molecular weight of 207.23 g/mol, XLogP of -2.82, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(3-amino-4-hydroxyoxan-2-yl)propane-1,2,3-triol is sourced from PubChem (CID 70867658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).