(2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-5,5-dimethyl-4-phosphanyloxyoxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-phosphanyloxyacetamide

C24H45NO8P2 — CID 90209220

IUPAC(2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-5,5-dimethyl-4-phosphanyloxyoxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-phosphanyloxyacetamide
SMILESC=C1C[C@](OC)([C@H](OP)C(=O)NC[C@@H]2C[C@@H](OP)C(C)(C)[C@@H](C[C@@H](COC)OC)O2)O[C@H](C)[C@@H]1C
InChIInChI=1S/C24H45NO8P2/c1-14-11-24(29-8,31-16(3)15(14)2)21(33-35)22(26)25-12-17-9-20(32-34)23(4,5)19(30-17)10-18(28-7)13-27-6/h15-21H,1,9-13,34-35H2,2-8H3,(H,25,26)/t15-,16-,17+,18+,19-,20-,21-,24-/m1/s1
InChIKeyILUHKOGNYOIUIX-CCRGPOILSA-N
MW537.57 g/mol
LogP3.03
Rot. Bonds12

About (2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-5,5-dimethyl-4-phosphanyloxyoxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-phosphanyloxyacetamide

(2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-5,5-dimethyl-4-phosphanyloxyoxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-phosphanyloxyacetamide (PubChem CID 90209220) has the molecular formula C24H45NO8P2 and a molecular weight of 537.57 g/mol. Its IUPAC name is (2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-5,5-dimethyl-4-phosphanyloxyoxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-phosphanyloxyacetamide.

Molecular Properties

Compound Name(2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-5,5-dimethyl-4-phosphanyloxyoxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-phosphanyloxyacetamide
PubChem CID90209220
Molecular FormulaC24H45NO8P2
Molecular Weight537.57 g/mol
Exact Mass537.26
IUPAC Name(2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-5,5-dimethyl-4-phosphanyloxyoxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-phosphanyloxyacetamide
SMILESC=C1C[C@](OC)([C@H](OP)C(=O)NC[C@@H]2C[C@@H](OP)C(C)(C)[C@@H](C[C@@H](COC)OC)O2)O[C@H](C)[C@@H]1C
InChIInChI=1S/C24H45NO8P2/c1-14-11-24(29-8,31-16(3)15(14)2)21(33-35)22(26)25-12-17-9-20(32-34)23(4,5)19(30-17)10-18(28-7)13-27-6/h15-21H,1,9-13,34-35H2,2-8H3,(H,25,26)/t15-,16-,17+,18+,19-,20-,21-,24-/m1/s1
InChIKeyILUHKOGNYOIUIX-CCRGPOILSA-N
XLogP3.03
TPSA93.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.57
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-5,5-dimethyl-4-phosphanyloxyoxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-phosphanyloxyacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-5,5-dimethyl-4-phosphanyloxyoxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-phosphanyloxyacetamide?
The IUPAC name of (2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-5,5-dimethyl-4-phosphanyloxyoxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-phosphanyloxyacetamide (CID 90209220) is (2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-5,5-dimethyl-4-phosphanyloxyoxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-phosphanyloxyacetamide.
What is the SMILES notation for (2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-5,5-dimethyl-4-phosphanyloxyoxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-phosphanyloxyacetamide?
The canonical SMILES for (2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-5,5-dimethyl-4-phosphanyloxyoxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-phosphanyloxyacetamide is C=C1C[C@](OC)([C@H](OP)C(=O)NC[C@@H]2C[C@@H](OP)C(C)(C)[C@@H](C[C@@H](COC)OC)O2)O[C@H](C)[C@@H]1C.
What is the InChIKey of (2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-5,5-dimethyl-4-phosphanyloxyoxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-phosphanyloxyacetamide?
The InChIKey is ILUHKOGNYOIUIX-CCRGPOILSA-N. The full InChI is InChI=1S/C24H45NO8P2/c1-14-11-24(29-8,31-16(3)15(14)2)21(33-35)22(26)25-12-17-9-20(32-34)23(4,5)19(30-17)10-18(28-7)13-27-6/h15-21H,1,9-13,34-35H2,2-8H3,(H,25,26)/t15-,16-,17+,18+,19-,20-,21-,24-/m1/s1.
What are the key properties of (2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-5,5-dimethyl-4-phosphanyloxyoxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-phosphanyloxyacetamide?
(2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-5,5-dimethyl-4-phosphanyloxyoxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-phosphanyloxyacetamide has a molecular weight of 537.57 g/mol, XLogP of 3.03, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-5,5-dimethyl-4-phosphanyloxyoxan-2-yl]methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-phosphanyloxyacetamide is sourced from PubChem (CID 90209220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).