(2S,4S,5R)-5-amino-6-methyl-2-propan-2-yloxane-3,4-diol

C9H19NO3 — CID 59680757

IUPAC(2S,4S,5R)-5-amino-6-methyl-2-propan-2-yloxane-3,4-diol
SMILESCC(C)[C@@H]1OC(C)[C@H](N)[C@H](O)C1O
InChIInChI=1S/C9H19NO3/c1-4(2)9-8(12)7(11)6(10)5(3)13-9/h4-9,11-12H,10H2,1-3H3/t5?,6-,7-,8?,9-/m0/s1
InChIKeyHBFWELSWTNPDAO-IDIMRBMGSA-N
MW189.25 g/mol
LogP-0.52
Rot. Bonds1

About (2S,4S,5R)-5-amino-6-methyl-2-propan-2-yloxane-3,4-diol

(2S,4S,5R)-5-amino-6-methyl-2-propan-2-yloxane-3,4-diol (PubChem CID 59680757) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is (2S,4S,5R)-5-amino-6-methyl-2-propan-2-yloxane-3,4-diol.

Molecular Properties

Compound Name(2S,4S,5R)-5-amino-6-methyl-2-propan-2-yloxane-3,4-diol
PubChem CID59680757
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name(2S,4S,5R)-5-amino-6-methyl-2-propan-2-yloxane-3,4-diol
SMILESCC(C)[C@@H]1OC(C)[C@H](N)[C@H](O)C1O
InChIInChI=1S/C9H19NO3/c1-4(2)9-8(12)7(11)6(10)5(3)13-9/h4-9,11-12H,10H2,1-3H3/t5?,6-,7-,8?,9-/m0/s1
InChIKeyHBFWELSWTNPDAO-IDIMRBMGSA-N
XLogP-0.52
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-5-amino-6-methyl-2-propan-2-yloxane-3,4-diol?
The IUPAC name of (2S,4S,5R)-5-amino-6-methyl-2-propan-2-yloxane-3,4-diol (CID 59680757) is (2S,4S,5R)-5-amino-6-methyl-2-propan-2-yloxane-3,4-diol.
What is the SMILES notation for (2S,4S,5R)-5-amino-6-methyl-2-propan-2-yloxane-3,4-diol?
The canonical SMILES for (2S,4S,5R)-5-amino-6-methyl-2-propan-2-yloxane-3,4-diol is CC(C)[C@@H]1OC(C)[C@H](N)[C@H](O)C1O.
What is the InChIKey of (2S,4S,5R)-5-amino-6-methyl-2-propan-2-yloxane-3,4-diol?
The InChIKey is HBFWELSWTNPDAO-IDIMRBMGSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4(2)9-8(12)7(11)6(10)5(3)13-9/h4-9,11-12H,10H2,1-3H3/t5?,6-,7-,8?,9-/m0/s1.
What are the key properties of (2S,4S,5R)-5-amino-6-methyl-2-propan-2-yloxane-3,4-diol?
(2S,4S,5R)-5-amino-6-methyl-2-propan-2-yloxane-3,4-diol has a molecular weight of 189.25 g/mol, XLogP of -0.52, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-5-amino-6-methyl-2-propan-2-yloxane-3,4-diol is sourced from PubChem (CID 59680757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).